[1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine

C16H23F2NO — CID 65052240

IUPAC[1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO/c1-15(2)5-7-16(11-19,8-6-15)20-10-12-3-4-13(17)9-14(12)18/h3-4,9H,5-8,10-11,19H2,1-2H3
InChIKeyXVQSGRVNWGCUNV-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.78
Rot. Bonds4

About [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine

[1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 65052240) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine
PubChem CID65052240
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name[1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO/c1-15(2)5-7-16(11-19,8-6-15)20-10-12-3-4-13(17)9-14(12)18/h3-4,9H,5-8,10-11,19H2,1-2H3
InChIKeyXVQSGRVNWGCUNV-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334
1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862217
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832
1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115762
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine (CID 65052240) is [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)(OCc2ccc(F)cc2F)CC1.
What is the InChIKey of [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is XVQSGRVNWGCUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-15(2)5-7-16(11-19,8-6-15)20-10-12-3-4-13(17)9-14(12)18/h3-4,9H,5-8,10-11,19H2,1-2H3.
What are the key properties of [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine?
[1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 283.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenyl)methoxy]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65052240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).