(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride

C13H20ClNO — CID 171200457

IUPAC(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccccc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10;/h4-5,8-10,13H,2-3,6-7,14H2,1H3;1H/t13-;/m1./s1
InChIKeyWHYFLJFIBVGDRP-BTQNPOSSSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds3

About (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride

(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 171200457) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
PubChem CID171200457
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccccc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10;/h4-5,8-10,13H,2-3,6-7,14H2,1H3;1H/t13-;/m1./s1
InChIKeyWHYFLJFIBVGDRP-BTQNPOSSSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride (CID 171200457) is (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride is COc1ccccc1[C@H](N)C1CCCC1.Cl.
What is the InChIKey of (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is WHYFLJFIBVGDRP-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10;/h4-5,8-10,13H,2-3,6-7,14H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride?
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171200457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).