2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine

C16H23ClFN — CID 107891760

IUPAC2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1(C(Cc2ccc(Cl)c(F)c2)NC)CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-16(8-4-5-9-16)15(19-2)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyGYAAUCJPTWFREJ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine

2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine (PubChem CID 107891760) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
PubChem CID107891760
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1(C(Cc2ccc(Cl)c(F)c2)NC)CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-16(8-4-5-9-16)15(19-2)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyGYAAUCJPTWFREJ-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

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 102867147
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107476268

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine (CID 107891760) is 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine is CCC1(C(Cc2ccc(Cl)c(F)c2)NC)CCCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
The InChIKey is GYAAUCJPTWFREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-16(8-4-5-9-16)15(19-2)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine 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-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine is sourced from PubChem (CID 107891760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).