[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol

C15H22FNO — CID 62521694

IUPAC[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
SMILESCc1cc(CNC2(CO)CCCCC2)ccc1F
InChIInChI=1S/C15H22FNO/c1-12-9-13(5-6-14(12)16)10-17-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyYJNRIKWPXHZSSH-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.92
Rot. Bonds4

About [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol

[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62521694) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
PubChem CID62521694
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
SMILESCc1cc(CNC2(CO)CCCCC2)ccc1F
InChIInChI=1S/C15H22FNO/c1-12-9-13(5-6-14(12)16)10-17-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyYJNRIKWPXHZSSH-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62523971
[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
CID 115523953
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol (CID 62521694) is [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol is Cc1cc(CNC2(CO)CCCCC2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is YJNRIKWPXHZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-9-13(5-6-14(12)16)10-17-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol?
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 251.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62521694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).