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CAS 14097-37-1 2-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine molecular structure lightbox
CAS RN: 14097-37-1

2-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine

  • Product code: SSC-051468
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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 14097-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

14097-37-1 / 2-methyl-3,4-dihydro-1H-isoquinolin-6-amine

Standard CAS: 14097-37-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14097-37-1
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
CN1CCC2=C(C1)C=CC(=C2)N
InChI
InChI=1S/C10H14N2/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3
InChIKey
PWHRVVMNFQGSJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.89
TPSA
29.26

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
1.1
Consensus LogP
1.15
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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