(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride

C13H18BrClFN — CID 171224555

IUPAC(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride
SMILESCc1cc(Br)cc([C@@H](N)C2CCCC2)c1F.Cl
InChIInChI=1S/C13H17BrFN.ClH/c1-8-6-10(14)7-11(12(8)15)13(16)9-4-2-3-5-9;/h6-7,9,13H,2-5,16H2,1H3;1H/t13-;/m0./s1
InChIKeyVDPVJHOQVBPITL-ZOWNYOTGSA-N
MW322.65 g/mol
LogP4.51
Rot. Bonds2

About (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride

(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride (PubChem CID 171224555) has the molecular formula C13H18BrClFN and a molecular weight of 322.65 g/mol. Its IUPAC name is (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride
PubChem CID171224555
Molecular FormulaC13H18BrClFN
Molecular Weight322.65 g/mol
Exact Mass321.03
IUPAC Name(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride
SMILESCc1cc(Br)cc([C@@H](N)C2CCCC2)c1F.Cl
InChIInChI=1S/C13H17BrFN.ClH/c1-8-6-10(14)7-11(12(8)15)13(16)9-4-2-3-5-9;/h6-7,9,13H,2-5,16H2,1H3;1H/t13-;/m0./s1
InChIKeyVDPVJHOQVBPITL-ZOWNYOTGSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.65
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171204956
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130731681
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride (CID 171224555) is (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride is Cc1cc(Br)cc([C@@H](N)C2CCCC2)c1F.Cl.
What is the InChIKey of (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride?
The InChIKey is VDPVJHOQVBPITL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H17BrFN.ClH/c1-8-6-10(14)7-11(12(8)15)13(16)9-4-2-3-5-9;/h6-7,9,13H,2-5,16H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride?
(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride has a molecular weight of 322.65 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171224555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).