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CAS 1213132-39-8 (1S)-1-(3-PHENYLPHENYL)ETHYLAMINE molecular structure lightbox
CAS RN: 1213132-39-8

(1S)-1-(3-PHENYLPHENYL)ETHYLAMINE

  • Product code: SSC-023252
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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 1213132-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1213132-39-8 / (1S)-1-(3-phenylphenyl)ethanamine

(1S)-1-(3-PHENYLPHENYL)ETHYLAMINE | (1S)-1-(3-phenylphenyl)ethanamine | MFCD11515204

Standard CAS: 1213132-39-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1213132-39-8
Multi CAS
No
Molecular Formula
C14H15N
Molecular Weight
197.270000
Exact Mass
197.120449
SMILES
C[C@@H](C1=CC=CC(=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C14H15N/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-11H,15H2,1H3/t11-/m0/s1
InChIKey
CHKUZHZWJGZNBC-NSHDSACASA-N
Synonyms
(1S)-1-(3-PHENYLPHENYL)ETHYLAMINE (1S)-1-(3-phenylphenyl)ethanamine MFCD11515204 (1S)-1-{[1,1'-biphenyl]-3-yl}ethan-1-amine SCHEMBL10145754

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.48
TPSA
26.02

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.8
Consensus LogP
3.05
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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