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CAS 71845-20-0 [4-(2-PHENYLETHYL)PHENYL]AMINEHYDROCHLORIDE molecular structure lightbox
CAS RN: 71845-20-0

[4-(2-PHENYLETHYL)PHENYL]AMINEHYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS71845-20-0
  • Purity/Analytical Methods: >99.0%
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71845-20-0 / 4-(2-phenylethyl)aniline;hydrochloride

Standard CAS: 71845-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71845-20-0
Multi CAS
No
Molecular Formula
C14H16CLN
Molecular Weight
233.730000
Exact Mass
233.097127
InChI
InChI=1S/C14H15N.ClH/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;/h1-5,8-11H,6-7,15H2;1H
InChIKey
QJWSMOWGHWIWRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.95
TPSA
26.02

LogP / Solubility

WLOGP
3.48
MLOGP
3.06
XLogP3
3.48
Consensus LogP
3.34
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

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

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