1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

C15H21F2NO — CID 65115762

IUPAC1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-11-4-6-15(19,7-5-11)10-18-9-12-2-3-13(16)8-14(12)17/h2-3,8,11,18-19H,4-7,9-10H2,1H3
InChIKeyCWHFAUDLUYZUGB-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.00
Rot. Bonds4

About 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115762) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115762
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-11-4-6-15(19,7-5-11)10-18-9-12-2-3-13(16)8-14(12)17/h2-3,8,11,18-19H,4-7,9-10H2,1H3
InChIKeyCWHFAUDLUYZUGB-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 114842509
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanone
CID 79062774
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (CID 65115762) is 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is CWHFAUDLUYZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-4-6-15(19,7-5-11)10-18-9-12-2-3-13(16)8-14(12)17/h2-3,8,11,18-19H,4-7,9-10H2,1H3.
What are the key properties of 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).