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

C16H23ClFN — CID 102867147

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1(C(Cc2cccc(Cl)c2F)NC)CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-16(9-4-5-10-16)14(19-2)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,3-5,9-11H2,1-2H3
InChIKeyVFEVVJRTRCJVBF-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.58
Rot. Bonds5

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

2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine (PubChem CID 102867147) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
PubChem CID102867147
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1(C(Cc2cccc(Cl)c2F)NC)CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-16(9-4-5-10-16)14(19-2)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,3-5,9-11H2,1-2H3
InChIKeyVFEVVJRTRCJVBF-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-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
CID 102867504
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(3-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 102867488
[2-(3-chloro-2-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 102868215
[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 102868227
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylcyclopropyl)ethanamine
CID 112653897
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
2-(3-chloro-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 102867266
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine (CID 102867147) is 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine is CCC1(C(Cc2cccc(Cl)c2F)NC)CCCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
The InChIKey is VFEVVJRTRCJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-16(9-4-5-10-16)14(19-2)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine?
2-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine is sourced from PubChem (CID 102867147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).