2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine

C17H25F2N — CID 64740451

IUPAC2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)C1CCC(C)C(C)C1
InChIInChI=1S/C17H25F2N/c1-11-4-5-14(8-12(11)2)17(20-3)9-13-6-7-15(18)10-16(13)19/h6-7,10-12,14,17,20H,4-5,8-9H2,1-3H3
InChIKeyMSPFDQVOSMLFTE-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 64740451) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
PubChem CID64740451
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)C1CCC(C)C(C)C1
InChIInChI=1S/C17H25F2N/c1-11-4-5-14(8-12(11)2)17(20-3)9-13-6-7-15(18)10-16(13)19/h6-7,10-12,14,17,20H,4-5,8-9H2,1-3H3
InChIKeyMSPFDQVOSMLFTE-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 64739642
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine (CID 64740451) is 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)C1CCC(C)C(C)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is MSPFDQVOSMLFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-11-4-5-14(8-12(11)2)17(20-3)9-13-6-7-15(18)10-16(13)19/h6-7,10-12,14,17,20H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 64740451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).