2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride

C13H20ClNO2 — CID 171200665

IUPAC2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCCC2)c(O)c1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-16-10-6-7-11(12(15)8-10)13(14)9-4-2-3-5-9;/h6-9,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1
InChIKeyFJGJKUNMTBRAND-BTQNPOSSSA-N
MW257.76 g/mol
LogP3.01
Rot. Bonds3

About 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride

2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride (PubChem CID 171200665) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
PubChem CID171200665
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCCC2)c(O)c1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-16-10-6-7-11(12(15)8-10)13(14)9-4-2-3-5-9;/h6-9,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1
InChIKeyFJGJKUNMTBRAND-BTQNPOSSSA-N
XLogP3.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-5-methoxyphenol
CID 171261289
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-methoxyphenol;hydrochloride
CID 171261853
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride (CID 171200665) is 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride is COc1ccc([C@H](N)C2CCCC2)c(O)c1.Cl.
What is the InChIKey of 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride?
The InChIKey is FJGJKUNMTBRAND-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-16-10-6-7-11(12(15)8-10)13(14)9-4-2-3-5-9;/h6-9,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride?
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride is sourced from PubChem (CID 171200665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).