(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride

C13H19BrClN — CID 171203860

IUPAC(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
SMILESCc1ccc(Br)cc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C13H18BrN.ClH/c1-9-6-7-11(14)8-12(9)13(15)10-4-2-3-5-10;/h6-8,10,13H,2-5,15H2,1H3;1H/t13-;/m1./s1
InChIKeyWVBDMTQZNHOTSW-BTQNPOSSSA-N
MW304.66 g/mol
LogP4.37
Rot. Bonds2

About (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride

(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride (PubChem CID 171203860) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
PubChem CID171203860
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
SMILESCc1ccc(Br)cc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C13H18BrN.ClH/c1-9-6-7-11(14)8-12(9)13(15)10-4-2-3-5-10;/h6-8,10,13H,2-5,15H2,1H3;1H/t13-;/m1./s1
InChIKeyWVBDMTQZNHOTSW-BTQNPOSSSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104988213
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171224555
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride (CID 171203860) is (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride is Cc1ccc(Br)cc1[C@H](N)C1CCCC1.Cl.
What is the InChIKey of (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride?
The InChIKey is WVBDMTQZNHOTSW-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H18BrN.ClH/c1-9-6-7-11(14)8-12(9)13(15)10-4-2-3-5-10;/h6-8,10,13H,2-5,15H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride?
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride has a molecular weight of 304.66 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171203860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).