1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

C19H30FN — CID 114347992

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCC(C)(C)CC1
InChIInChI=1S/C19H30FN/c1-5-21-18(15-8-10-19(3,4)11-9-15)13-16-6-7-17(20)12-14(16)2/h6-7,12,15,18,21H,5,8-11,13H2,1-4H3
InChIKeyUTDABZKMOYACAE-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.87
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114347992) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114347992
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCC(C)(C)CC1
InChIInChI=1S/C19H30FN/c1-5-21-18(15-8-10-19(3,4)11-9-15)13-16-6-7-17(20)12-14(16)2/h6-7,12,15,18,21H,5,8-11,13H2,1-4H3
InChIKeyUTDABZKMOYACAE-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 65391437
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114347992) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is UTDABZKMOYACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-5-21-18(15-8-10-19(3,4)11-9-15)13-16-6-7-17(20)12-14(16)2/h6-7,12,15,18,21H,5,8-11,13H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 291.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114347992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).