2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride

C13H20ClNO — CID 171212510

IUPAC2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
SMILESCc1cccc([C@H](N)C2CCCC2)c1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-5-4-8-11(13(9)15)12(14)10-6-2-3-7-10;/h4-5,8,10,12,15H,2-3,6-7,14H2,1H3;1H/t12-;/m1./s1
InChIKeyUMMNARJZYZNUSO-UTONKHPSSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds2

About 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride

2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride (PubChem CID 171212510) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
PubChem CID171212510
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
SMILESCc1cccc([C@H](N)C2CCCC2)c1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-5-4-8-11(13(9)15)12(14)10-6-2-3-7-10;/h4-5,8,10,12,15H,2-3,6-7,14H2,1H3;1H/t12-;/m1./s1
InChIKeyUMMNARJZYZNUSO-UTONKHPSSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride (CID 171212510) is 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride is Cc1cccc([C@H](N)C2CCCC2)c1O.Cl.
What is the InChIKey of 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride?
The InChIKey is UMMNARJZYZNUSO-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-9-5-4-8-11(13(9)15)12(14)10-6-2-3-7-10;/h4-5,8,10,12,15H,2-3,6-7,14H2,1H3;1H/t12-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride?
2-[(R)-amino(cyclopentyl)methyl]-6-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 2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride is sourced from PubChem (CID 171212510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).