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CAS 91251-27-3 1-(2,5-dimethylphenyl)ethan-1-amine hydrochloride molecular structure lightbox
CAS RN: 91251-27-3

1-(2,5-dimethylphenyl)ethan-1-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS91251-27-3
  • Purity/Analytical Methods: >99.0%
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91251-27-3 / 1-(2,5-dimethylphenyl)ethanamine;hydrochloride

Standard CAS: 91251-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91251-27-3
Multi CAS
No
Molecular Formula
C10H16CLN
Molecular Weight
185.690000
Exact Mass
185.097127
InChI
InChI=1S/C10H15N.ClH/c1-7-4-5-8(2)10(6-7)9(3)11;/h4-6,9H,11H2,1-3H3;1H
InChIKey
XQDCTHGENBYORR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.77
TPSA
26.02

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-1.9

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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