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CAS 1095514-42-3 (R)-N-METHYL-1-(4-FLUOROPHENYL)ETHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1095514-42-3

(R)-N-METHYL-1-(4-FLUOROPHENYL)ETHYLAMINE HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1095514-42-3
  • Purity/Analytical Methods: >99.0%
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1095514-42-3 / (1R)-1-(4-fluorophenyl)-N-methylethanamine;hydrochloride

(R)-1-(4-Fluorophenyl)-N-methylethan-1-amine hydrochloride | (R)-N-Methyl-1-(4-fluorophenyl)ethylamine HCl | [(1R)-1-(4-fluorophenyl)ethyl](methyl)amine hydrochloride

Standard CAS: 1095514-42-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1095514-42-3
Multi CAS
No
Molecular Formula
C9H13ClFN
Molecular Weight
189.660000
Exact Mass
189.072055
SMILES
C[C@H](C1=CC=C(C=C1)F)NC.Cl
InChI
InChI=1S/C9H12FN.ClH/c1-7(11-2)8-3-5-9(10)6-4-8;/h3-7,11H,1-2H3;1H/t7-;/m1./s1
InChIKey
OGCJBMKSZJSIIR-OGFXRTJISA-N
Synonyms
(R)-1-(4-Fluorophenyl)-N-methylethan-1-amine hydrochloride (R)-N-Methyl-1-(4-fluorophenyl)ethylamine HCl [(1R)-1-(4-fluorophenyl)ethyl](methyl)amine hydrochloride MFCD34166174 BS-48741

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
51.12
TPSA
12.03

LogP / Solubility

WLOGP
2.53
MLOGP
2.22
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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