N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine

C19H30FN — CID 63863279

IUPACN-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)C1CCCCC1CC
InChIInChI=1S/C19H30FN/c1-3-13-21-19(14-16-10-6-8-12-18(16)20)17-11-7-5-9-15(17)4-2/h6,8,10,12,15,17,19,21H,3-5,7,9,11,13-14H2,1-2H3
InChIKeyVNFFDYWSEHVELG-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.95
Rot. Bonds7

About N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine

N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63863279) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID63863279
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)C1CCCCC1CC
InChIInChI=1S/C19H30FN/c1-3-13-21-19(14-16-10-6-8-12-18(16)20)17-11-7-5-9-15(17)4-2/h6,8,10,12,15,17,19,21H,3-5,7,9,11,13-14H2,1-2H3
InChIKeyVNFFDYWSEHVELG-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine 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

N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
N-[1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63863284
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
CID 112690220
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 63863279) is N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)C1CCCCC1CC.
What is the InChIKey of N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is VNFFDYWSEHVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-3-13-21-19(14-16-10-6-8-12-18(16)20)17-11-7-5-9-15(17)4-2/h6,8,10,12,15,17,19,21H,3-5,7,9,11,13-14H2,1-2H3.
What are the key properties of N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63863279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).