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CAS 1212064-17-9 (R)-1-(3-chlorophenyl)-2-methylpropan-1-amine molecular structure lightbox
CAS RN: 1212064-17-9

(R)-1-(3-chlorophenyl)-2-methylpropan-1-amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1212064-17-9
  • Purity/Analytical Methods: >99.0%
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1212064-17-9 / (1R)-1-(3-chlorophenyl)-2-methylpropan-1-amine

(R)-1-(3-CHLOROPHENYL)-2-METHYLPROPAN-1-AMINE | (1R)-1-(3-CHLOROPHENYL)-2-METHYLPROPAN-1-AMINE | MFCD08437766

Standard CAS: 1212064-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212064-17-9
Multi CAS
Yes
Molecular Formula
C10H14ClN
Molecular Weight
183.680000
Exact Mass
183.081477
SMILES
CC(C)[C@H](C1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C10H14ClN/c1-7(2)10(12)8-4-3-5-9(11)6-8/h3-7,10H,12H2,1-2H3/t10-/m1/s1
InChIKey
QSNJTSCLCFQIJO-SNVBAGLBSA-N
Synonyms
(R)-1-(3-CHLOROPHENYL)-2-METHYLPROPAN-1-AMINE (1R)-1-(3-CHLOROPHENYL)-2-METHYLPROPAN-1-AMINE MFCD08437766 AKOS022177069 DS-13141

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.22
TPSA
26.02

LogP / Solubility

WLOGP
3
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-1.71

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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