[email protected]
CAS 23580-89-4 METHYL-(3-PHENYL-PROPYL)-AMINE molecular structure lightbox
CAS RN: 23580-89-4

METHYL-(3-PHENYL-PROPYL)-AMINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23580-89-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

23580-89-4 / 4-phenylbutan-2-amine

Standard CAS: 23580-89-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23580-89-4
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CC(CCC1=CC=CC=C1)N
InChI
InChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKey
MLHBZVFOTDJTPK-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
48.41
TPSA
26.02

LogP / Solubility

WLOGP
1.97
MLOGP
1.72
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.23

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