2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine

C17H25F2N — CID 104988926

IUPAC2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C17H25F2N/c1-11-6-12(2)8-14(7-11)17(20-3)10-13-4-5-15(18)16(19)9-13/h4-5,9,11-12,14,17,20H,6-8,10H2,1-3H3
InChIKeyHYVWCQAYGBVHPB-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine

2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 104988926) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
PubChem CID104988926
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C17H25F2N/c1-11-6-12(2)8-14(7-11)17(20-3)10-13-4-5-15(18)16(19)9-13/h4-5,9,11-12,14,17,20H,6-8,10H2,1-3H3
InChIKeyHYVWCQAYGBVHPB-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-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 64730116
[2-(3,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233269
1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 64731313
1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 64731111
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
[1-cyclohexyl-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105201895
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052994
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115802996

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine (CID 104988926) is 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1ccc(F)c(F)c1)C1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is HYVWCQAYGBVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-11-6-12(2)8-14(7-11)17(20-3)10-13-4-5-15(18)16(19)9-13/h4-5,9,11-12,14,17,20H,6-8,10H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine?
2-(3,4-difluorophenyl)-1-(3,5-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-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 104988926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).