2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine

C16H23ClFN — CID 103039852

IUPAC2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H23ClFN/c1-2-19-16(13-6-4-3-5-7-13)11-12-8-9-15(18)14(17)10-12/h8-10,13,16,19H,2-7,11H2,1H3
InChIKeyZELJLBPNVZBMMF-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.58
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine (PubChem CID 103039852) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
PubChem CID103039852
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H23ClFN/c1-2-19-16(13-6-4-3-5-7-13)11-12-8-9-15(18)14(17)10-12/h8-10,13,16,19H,2-7,11H2,1H3
InChIKeyZELJLBPNVZBMMF-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine (CID 103039852) is 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine is CCNC(Cc1ccc(F)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine?
The InChIKey is ZELJLBPNVZBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-19-16(13-6-4-3-5-7-13)11-12-8-9-15(18)14(17)10-12/h8-10,13,16,19H,2-7,11H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine?
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 103039852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).