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CAS 1200-27-7 1-(4-Fluorophenyl)-2-methyl-2-propylamine molecular structure lightbox
CAS RN: 1200-27-7

1-(4-Fluorophenyl)-2-methyl-2-propylamine

  • Product code: SSC-020815
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1200-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1200-27-7 / 1-(4-fluorophenyl)-2-methylpropan-2-amine

1-(4-Fluorophenyl)-2-methyl-2-aminopropane | RefChem:425520 | 679-126-9

Standard CAS: 1200-27-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1200-27-7
Multi CAS
Yes
Molecular Formula
C10H14FN
Molecular Weight
167.220000
Exact Mass
167.111028
SMILES
CC(C)(CC1=CC=C(C=C1)F)N
InChI
InChI=1S/C10H14FN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
InChIKey
JITFIYFVPMQJOK-UHFFFAOYSA-N
Synonyms
1-(4-Fluorophenyl)-2-methyl-2-aminopropane RefChem:425520 679-126-9 1-(4-fluorophenyl)-2-methylpropan-2-amine 1-(4-Fluorophenyl)-2-methyl-2-propylamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.37
TPSA
26.02

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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