4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride

C14H22ClNO2 — CID 171220298

IUPAC4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@@H](N)C1CCCCC1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-17-13-9-11(16)7-8-12(13)14(15)10-5-3-2-4-6-10;/h7-10,14,16H,2-6,15H2,1H3;1H/t14-;/m0./s1
InChIKeyKZHZNVDHIQSNLU-UQKRIMTDSA-N
MW271.79 g/mol
LogP3.40
Rot. Bonds3

About 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride

4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride (PubChem CID 171220298) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
PubChem CID171220298
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@@H](N)C1CCCCC1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-17-13-9-11(16)7-8-12(13)14(15)10-5-3-2-4-6-10;/h7-10,14,16H,2-6,15H2,1H3;1H/t14-;/m0./s1
InChIKeyKZHZNVDHIQSNLU-UQKRIMTDSA-N
XLogP3.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
(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
(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
CID 171216586
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171215506
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride (CID 171220298) is 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@@H](N)C1CCCCC1.Cl.
What is the InChIKey of 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride?
The InChIKey is KZHZNVDHIQSNLU-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-17-13-9-11(16)7-8-12(13)14(15)10-5-3-2-4-6-10;/h7-10,14,16H,2-6,15H2,1H3;1H/t14-;/m0./s1.
What are the key properties of 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride?
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171220298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).