2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride

C14H21ClFNO2 — CID 171256025

IUPAC2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
SMILESCOc1cc(F)cc([C@@H](N)C2CCCCC2)c1O.Cl
InChIInChI=1S/C14H20FNO2.ClH/c1-18-12-8-10(15)7-11(14(12)17)13(16)9-5-3-2-4-6-9;/h7-9,13,17H,2-6,16H2,1H3;1H/t13-;/m0./s1
InChIKeyDAJPQTOGOAIDLA-ZOWNYOTGSA-N
MW289.78 g/mol
LogP3.54
Rot. Bonds3

About 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride

2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride (PubChem CID 171256025) has the molecular formula C14H21ClFNO2 and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
PubChem CID171256025
Molecular FormulaC14H21ClFNO2
Molecular Weight289.78 g/mol
Exact Mass289.12
IUPAC Name2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
SMILESCOc1cc(F)cc([C@@H](N)C2CCCCC2)c1O.Cl
InChIInChI=1S/C14H20FNO2.ClH/c1-18-12-8-10(15)7-11(14(12)17)13(16)9-5-3-2-4-6-9;/h7-9,13,17H,2-6,16H2,1H3;1H/t13-;/m0./s1
InChIKeyDAJPQTOGOAIDLA-ZOWNYOTGSA-N
XLogP3.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 53.54
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-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
CID 171212893
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171215506
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
3-[(S)-amino(cyclopentyl)methyl]-4-hydroxy-5-methoxybenzonitrile
CID 171254969
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
CID 171257260
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride (CID 171256025) is 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride is COc1cc(F)cc([C@@H](N)C2CCCCC2)c1O.Cl.
What is the InChIKey of 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride?
The InChIKey is DAJPQTOGOAIDLA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20FNO2.ClH/c1-18-12-8-10(15)7-11(14(12)17)13(16)9-5-3-2-4-6-9;/h7-9,13,17H,2-6,16H2,1H3;1H/t13-;/m0./s1.
What are the key properties of 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride?
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride has a molecular weight of 289.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171256025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).