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CAS 1212824-31-1 (1S)-1-(3,5-DIFLUOROPHENYL)PROPYLAMINE molecular structure lightbox
CAS RN: 1212824-31-1

(1S)-1-(3,5-DIFLUOROPHENYL)PROPYLAMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1212824-31-1
  • Purity/Analytical Methods: >99.0%
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1212824-31-1 / (1S)-1-(3,5-difluorophenyl)propan-1-amine

1-(3,5-difluorophenyl)propan-1-amine | 1-(3,5-Difluorophenyl)propylamine | MFCD07784282

Standard CAS: 1212824-31-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212824-31-1
Multi CAS
Yes
Molecular Formula
C9H11F2N
Molecular Weight
171.190000
Exact Mass
171.085956
SMILES
CC[C@@H](C1=CC(=CC(=C1)F)F)N
InChI
InChI=1S/C9H11F2N/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3/t9-/m0/s1
InChIKey
PFFDHDIEJYLKMD-VIFPVBQESA-N
Synonyms
1-(3,5-difluorophenyl)propan-1-amine 1-(3,5-Difluorophenyl)propylamine MFCD07784282 alpha-Ethyl-3,5-difluorobenzenemethanamine SCHEMBL12261531

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.58
TPSA
26.02

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.08

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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