N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine

C19H30FN — CID 114348004

IUPACN-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCCC(CC)C1
InChIInChI=1S/C19H30FN/c1-4-15-7-6-8-17(12-15)19(21-5-2)13-16-9-10-18(20)11-14(16)3/h9-11,15,17,19,21H,4-8,12-13H2,1-3H3
InChIKeyJHESGBXRBZOIOZ-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.87
Rot. Bonds6

About N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine

N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114348004) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114348004
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCCC(CC)C1
InChIInChI=1S/C19H30FN/c1-4-15-7-6-8-17(12-15)19(21-5-2)13-16-9-10-18(20)11-14(16)3/h9-11,15,17,19,21H,4-8,12-13H2,1-3H3
InChIKeyJHESGBXRBZOIOZ-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066110
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-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
N-ethyl-1-(3-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 65415760
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114348004) is N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is JHESGBXRBZOIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-15-7-6-8-17(12-15)19(21-5-2)13-16-9-10-18(20)11-14(16)3/h9-11,15,17,19,21H,4-8,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 291.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114348004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).