1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine

C17H25ClFN — CID 63420165

IUPAC1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Cl)CC1CCCCC1
InChIInChI=1S/C17H25ClFN/c1-2-20-16(10-13-6-4-3-5-7-13)11-14-8-9-15(19)12-17(14)18/h8-9,12-13,16,20H,2-7,10-11H2,1H3
InChIKeyWNPJWKIZPUROFN-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.97
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine

1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine (PubChem CID 63420165) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
PubChem CID63420165
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Cl)CC1CCCCC1
InChIInChI=1S/C17H25ClFN/c1-2-20-16(10-13-6-4-3-5-7-13)11-14-8-9-15(19)12-17(14)18/h8-9,12-13,16,20H,2-7,10-11H2,1H3
InChIKeyWNPJWKIZPUROFN-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
CID 79562830
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine (CID 63420165) is 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine is CCNC(Cc1ccc(F)cc1Cl)CC1CCCCC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The InChIKey is WNPJWKIZPUROFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-2-20-16(10-13-6-4-3-5-7-13)11-14-8-9-15(19)12-17(14)18/h8-9,12-13,16,20H,2-7,10-11H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine has a molecular weight of 297.84 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine is sourced from PubChem (CID 63420165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).