[email protected]
CAS 1864056-60-9 1-(3-FLUOROPHENYL)PENTAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1864056-60-9

1-(3-FLUOROPHENYL)PENTAN-1-AMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1864056-60-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1864056-60-9 / 1-(3-fluorophenyl)pentan-1-amine;hydrochloride

Standard CAS: 1864056-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864056-60-9
Multi CAS
No
Molecular Formula
C11H17ClFN
Molecular Weight
217.710000
Exact Mass
217.103355
SMILES
CCCCC(C1=CC(=CC=C1)F)N.Cl
InChI
InChI=1S/C11H16FN.ClH/c1-2-3-7-11(13)9-5-4-6-10(12)8-9;/h4-6,8,11H,2-3,7,13H2,1H3;1H
InChIKey
BBRXXOWHMFKTJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.1
TPSA
26.02

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.44
Consensus LogP
3.3
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.61

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us