2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride

C14H21ClFNO — CID 171205422

IUPAC2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
SMILESCc1cc(F)cc([C@H](N)C2CCCCC2)c1O.Cl
InChIInChI=1S/C14H20FNO.ClH/c1-9-7-11(15)8-12(14(9)17)13(16)10-5-3-2-4-6-10;/h7-8,10,13,17H,2-6,16H2,1H3;1H/t13-;/m1./s1
InChIKeyHKKFYGDAFZRPJY-BTQNPOSSSA-N
MW273.78 g/mol
LogP3.84
Rot. Bonds2

About 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride

2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride (PubChem CID 171205422) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
PubChem CID171205422
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
SMILESCc1cc(F)cc([C@H](N)C2CCCCC2)c1O.Cl
InChIInChI=1S/C14H20FNO.ClH/c1-9-7-11(15)8-12(14(9)17)13(16)10-5-3-2-4-6-10;/h7-8,10,13,17H,2-6,16H2,1H3;1H/t13-;/m1./s1
InChIKeyHKKFYGDAFZRPJY-BTQNPOSSSA-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

2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205419
2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol
CID 130752620
2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
CID 171257260
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-nitrophenol
CID 171255475
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
CID 171224857
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride (CID 171205422) is 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride is Cc1cc(F)cc([C@H](N)C2CCCCC2)c1O.Cl.
What is the InChIKey of 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
The InChIKey is HKKFYGDAFZRPJY-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/c1-9-7-11(15)8-12(14(9)17)13(16)10-5-3-2-4-6-10;/h7-8,10,13,17H,2-6,16H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-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 2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride is sourced from PubChem (CID 171205422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).