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CAS 54930-39-1 3-(4-methylphenyl)propan-1-amine molecular structure lightbox
CAS RN: 54930-39-1

3-(4-methylphenyl)propan-1-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54930-39-1
  • Purity/Analytical Methods: >99.0%
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54930-39-1 / 3-(4-methylphenyl)propan-1-amine

Standard CAS: 54930-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54930-39-1
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
InChI
InChI=1S/C10H15N/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,2-3,8,11H2,1H3
InChIKey
NUWCDHQYCLUEDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.55
TPSA
26.02

LogP / Solubility

WLOGP
1.89
MLOGP
1.65
XLogP3
2.2
Consensus LogP
1.91
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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