[email protected]
CAS 1168139-46-5 (S)-1-P-TOLYLPROPAN-1-AMINE-HCl molecular structure lightbox
CAS RN: 1168139-46-5

(S)-1-P-TOLYLPROPAN-1-AMINE-HCl

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1168139-46-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1168139-46-5 / (1S)-1-(4-methylphenyl)propan-1-amine;hydrochloride

1-(4-methylphenyl)propan-1-amine hydrochloride | RefChem:425923 | 869-076-8

Standard CAS: 1168139-46-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1168139-46-5
Multi CAS
Yes
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CC[C@@H](C1=CC=C(C=C1)C)N.Cl
InChI
InChI=1S/C10H15N.ClH/c1-3-10(11)9-6-4-8(2)5-7-9;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1
InChIKey
XKTMBXZLOUIZLE-PPHPATTJSA-N
Synonyms
1-(4-methylphenyl)propan-1-amine hydrochloride RefChem:425923 869-076-8 [1-(4-methylphenyl)propyl]amine hydrochloride MFCD11841239

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
55.65
TPSA
26.02

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.85

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us