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CAS 1019538-79-4 N-(CyclopropylMethyl)-4-fluoro-benzylaMine molecular structure lightbox
CAS RN: 1019538-79-4

N-(CyclopropylMethyl)-4-fluoro-benzylaMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1019538-79-4
  • Purity/Analytical Methods: >99.0%
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1019538-79-4 / 1-cyclopropyl-N-[(4-fluorophenyl)methyl]methanamine

(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine | (Cyclopropylmethyl)((4-fluorophenyl)methyl)amine | RefChem:406076

Standard CAS: 1019538-79-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1019538-79-4
Multi CAS
No
Molecular Formula
C11H14FN
Molecular Weight
179.230000
Exact Mass
179.111028
SMILES
C1CC1CNCC2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2
InChIKey
JMKBYKGNJPSQPJ-UHFFFAOYSA-N
Synonyms
(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine (Cyclopropylmethyl)((4-fluorophenyl)methyl)amine RefChem:406076 108-189-2 N-(Cyclopropylmethyl)-4-fluoro-benzylamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.83
TPSA
12.03

LogP / Solubility

WLOGP
2.33
MLOGP
2.04
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.16

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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