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

C17H26FN — CID 64739642

IUPAC1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26FN/c1-12-4-7-15(10-13(12)2)17(19-3)11-14-5-8-16(18)9-6-14/h5-6,8-9,12-13,15,17,19H,4,7,10-11H2,1-3H3
InChIKeyOWWWCCXDXZARBW-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.03
Rot. Bonds4

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

1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 64739642) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID64739642
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26FN/c1-12-4-7-15(10-13(12)2)17(19-3)11-14-5-8-16(18)9-6-14/h5-6,8-9,12-13,15,17,19H,4,7,10-11H2,1-3H3
InChIKeyOWWWCCXDXZARBW-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
CID 64740451
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
2-(3,4-dimethylcyclohexyl)-3-(4-fluorophenyl)propanoic acid
CID 79418546
[1-(3,4-dimethylcyclohexyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212464
1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene
CID 174725245
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 61065850
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864263

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine (CID 64739642) is 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is OWWWCCXDXZARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12-4-7-15(10-13(12)2)17(19-3)11-14-5-8-16(18)9-6-14/h5-6,8-9,12-13,15,17,19H,4,7,10-11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64739642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).