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CAS 1178741-79-1 1-(3-METHYLPHENYL)PROPAN-1-AMINE molecular structure lightbox
CAS RN: 1178741-79-1

1-(3-METHYLPHENYL)PROPAN-1-AMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1178741-79-1
  • Purity/Analytical Methods: >99.0%
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1178741-79-1 / 1-(3-methylphenyl)propan-1-amine

1-(m-Tolyl)propan-1-amine | 1-(3-methylphenyl)propan-1-amine | MFCD12154065

Standard CAS: 1178741-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1178741-79-1
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CCC(C1=CC=CC(=C1)C)N
InChI
InChI=1S/C10H15N/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7,10H,3,11H2,1-2H3
InChIKey
SZJIHSSKEPYVBG-UHFFFAOYSA-N
Synonyms
1-(m-Tolyl)propan-1-amine 1-(3-methylphenyl)propan-1-amine MFCD12154065 (1S)-1-(3-methylphenyl)propan-1-amine 1-(3-Methylphenyl)-propan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.4
TPSA
26.02

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-1.92

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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