2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine

C15H21ClFN — CID 65412373

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H21ClFN/c1-2-10-6-7-11(8-10)15(18)9-12-13(16)4-3-5-14(12)17/h3-5,10-11,15H,2,6-9,18H2,1H3
InChIKeyXCKNYMCFZRYLKQ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine (PubChem CID 65412373) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
PubChem CID65412373
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H21ClFN/c1-2-10-6-7-11(8-10)15(18)9-12-13(16)4-3-5-14(12)17/h3-5,10-11,15H,2,6-9,18H2,1H3
InChIKeyXCKNYMCFZRYLKQ-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 82805344
2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 114932592
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine (CID 65412373) is 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine is CCC1CCC(C(N)Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The InChIKey is XCKNYMCFZRYLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-10-6-7-11(8-10)15(18)9-12-13(16)4-3-5-14(12)17/h3-5,10-11,15H,2,6-9,18H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 65412373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).