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

C16H23ClFN — CID 82937282

IUPAC2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
SMILESCCNCC(c1cccc(Cl)c1F)C1CCCCC1
InChIInChI=1S/C16H23ClFN/c1-2-19-11-14(12-7-4-3-5-8-12)13-9-6-10-15(17)16(13)18/h6,9-10,12,14,19H,2-5,7-8,11H2,1H3
InChIKeyPFLGXNYOWRVOML-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.75
Rot. Bonds5

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

2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine (PubChem CID 82937282) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
PubChem CID82937282
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
SMILESCCNCC(c1cccc(Cl)c1F)C1CCCCC1
InChIInChI=1S/C16H23ClFN/c1-2-19-11-14(12-7-4-3-5-8-12)13-9-6-10-15(17)16(13)18/h6,9-10,12,14,19H,2-5,7-8,11H2,1H3
InChIKeyPFLGXNYOWRVOML-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 82933922
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894
1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol
CID 114488974
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine (CID 82937282) is 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine is CCNCC(c1cccc(Cl)c1F)C1CCCCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
The InChIKey is PFLGXNYOWRVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-19-11-14(12-7-4-3-5-8-12)13-9-6-10-15(17)16(13)18/h6,9-10,12,14,19H,2-5,7-8,11H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine?
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 82937282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).