4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride

C13H20ClNO2 — CID 171200758

IUPAC4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-16-12-8-10(15)6-7-11(12)13(14)9-4-2-3-5-9;/h6-9,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1
InChIKeyVHHORHGWFUHIEG-BTQNPOSSSA-N
MW257.76 g/mol
LogP3.01
Rot. Bonds3

About 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride

4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride (PubChem CID 171200758) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
PubChem CID171200758
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)C1CCCC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-16-12-8-10(15)6-7-11(12)13(14)9-4-2-3-5-9;/h6-9,13,15H,2-5,14H2,1H3;1H/t13-;/m1./s1
InChIKeyVHHORHGWFUHIEG-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

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Related Compounds

4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
CID 131272939
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
CID 171216586
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride (CID 171200758) is 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@H](N)C1CCCC1.Cl.
What is the InChIKey of 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride?
The InChIKey is VHHORHGWFUHIEG-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-16-12-8-10(15)6-7-11(12)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 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride?
4-[(R)-amino(cyclopentyl)methyl]-3-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 4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171200758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).