4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride

C13H20ClNO — CID 171213118

IUPAC4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
SMILESCc1cc([C@H](N)C2CCCC2)ccc1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-8-11(6-7-12(9)15)13(14)10-4-2-3-5-10;/h6-8,10,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1
InChIKeyHOYNIPZKVXCFJH-BTQNPOSSSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds2

About 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride

4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride (PubChem CID 171213118) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
PubChem CID171213118
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
SMILESCc1cc([C@H](N)C2CCCC2)ccc1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-8-11(6-7-12(9)15)13(14)10-4-2-3-5-10;/h6-8,10,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1
InChIKeyHOYNIPZKVXCFJH-BTQNPOSSSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211702
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride (CID 171213118) is 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride is Cc1cc([C@H](N)C2CCCC2)ccc1O.Cl.
What is the InChIKey of 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride?
The InChIKey is HOYNIPZKVXCFJH-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-9-8-11(6-7-12(9)15)13(14)10-4-2-3-5-10;/h6-8,10,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride?
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride is sourced from PubChem (CID 171213118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).