(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride

C14H22ClNO2 — CID 171218788

IUPAC(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc([C@@H](N)C2CCCC2)c1OC.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-16-12-9-5-8-11(14(12)17-2)13(15)10-6-3-4-7-10;/h5,8-10,13H,3-4,6-7,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyPXIWGDGLFXPRGD-ZOWNYOTGSA-N
MW271.79 g/mol
LogP3.32
Rot. Bonds4

About (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride

(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride (PubChem CID 171218788) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
PubChem CID171218788
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc([C@@H](N)C2CCCC2)c1OC.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-16-12-9-5-8-11(14(12)17-2)13(15)10-6-3-4-7-10;/h5,8-10,13H,3-4,6-7,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyPXIWGDGLFXPRGD-ZOWNYOTGSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride (CID 171218788) is (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride is COc1cccc([C@@H](N)C2CCCC2)c1OC.Cl.
What is the InChIKey of (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is PXIWGDGLFXPRGD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-16-12-9-5-8-11(14(12)17-2)13(15)10-6-3-4-7-10;/h5,8-10,13H,3-4,6-7,15H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171218788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).