2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine

C17H26FN — CID 114347797

IUPAC2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(F)cc1C)C1CCC(C)CC1
InChIInChI=1S/C17H26FN/c1-12-4-6-14(7-5-12)17(19-3)11-15-8-9-16(18)10-13(15)2/h8-10,12,14,17,19H,4-7,11H2,1-3H3
InChIKeyGWGLVVXVMIYAMH-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine

2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine (PubChem CID 114347797) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
PubChem CID114347797
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(F)cc1C)C1CCC(C)CC1
InChIInChI=1S/C17H26FN/c1-12-4-6-14(7-5-12)17(19-3)11-15-8-9-16(18)10-13(15)2/h8-10,12,14,17,19H,4-7,11H2,1-3H3
InChIKeyGWGLVVXVMIYAMH-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105050938
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
CID 64740451
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine (CID 114347797) is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine is CNC(Cc1ccc(F)cc1C)C1CCC(C)CC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is GWGLVVXVMIYAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12-4-6-14(7-5-12)17(19-3)11-15-8-9-16(18)10-13(15)2/h8-10,12,14,17,19H,4-7,11H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine?
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 114347797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).