1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine

C16H23ClFN — CID 63418000

IUPAC1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFN/c1-2-19-16(10-12-6-4-3-5-7-12)14-9-8-13(17)11-15(14)18/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyOZDWISOCBOGXQI-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.10
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine

1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine (PubChem CID 63418000) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
PubChem CID63418000
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFN/c1-2-19-16(10-12-6-4-3-5-7-12)14-9-8-13(17)11-15(14)18/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyOZDWISOCBOGXQI-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine (CID 63418000) is 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine is CCNC(CC1CCCCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
The InChIKey is OZDWISOCBOGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-19-16(10-12-6-4-3-5-7-12)14-9-8-13(17)11-15(14)18/h8-9,11-12,16,19H,2-7,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine has a molecular weight of 283.82 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 63418000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).