6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride

C14H21ClFNO — CID 171253430

IUPAC6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
SMILESCc1ccc([C@@H](N)C2CCCCC2)c(O)c1F.Cl
InChIInChI=1S/C14H20FNO.ClH/c1-9-7-8-11(14(17)12(9)15)13(16)10-5-3-2-4-6-10;/h7-8,10,13,17H,2-6,16H2,1H3;1H/t13-;/m0./s1
InChIKeyHUFHBMDZUJPKHR-ZOWNYOTGSA-N
MW273.78 g/mol
LogP3.84
Rot. Bonds2

About 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride

6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride (PubChem CID 171253430) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride.

Molecular Properties

Compound Name6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
PubChem CID171253430
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
SMILESCc1ccc([C@@H](N)C2CCCCC2)c(O)c1F.Cl
InChIInChI=1S/C14H20FNO.ClH/c1-9-7-8-11(14(17)12(9)15)13(16)10-5-3-2-4-6-10;/h7-8,10,13,17H,2-6,16H2,1H3;1H/t13-;/m0./s1
InChIKeyHUFHBMDZUJPKHR-ZOWNYOTGSA-N
XLogP3.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.84
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

6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
6-[(S)-amino(cyclohexyl)methyl]-3-methyl-2-nitrophenol
CID 171255254
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
2-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride?
The IUPAC name of 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride (CID 171253430) is 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride.
What is the SMILES notation for 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride?
The canonical SMILES for 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride is Cc1ccc([C@@H](N)C2CCCCC2)c(O)c1F.Cl.
What is the InChIKey of 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride?
The InChIKey is HUFHBMDZUJPKHR-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/c1-9-7-8-11(14(17)12(9)15)13(16)10-5-3-2-4-6-10;/h7-8,10,13,17H,2-6,16H2,1H3;1H/t13-;/m0./s1.
What are the key properties of 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride?
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride has a molecular weight of 273.78 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride is sourced from PubChem (CID 171253430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).