2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine

C15H21ClFN — CID 102618995

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H21ClFN/c1-2-10-3-4-11(7-10)15(18)9-12-8-13(17)5-6-14(12)16/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyICVFGJATZOPHSO-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine (PubChem CID 102618995) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
PubChem CID102618995
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H21ClFN/c1-2-10-3-4-11(7-10)15(18)9-12-8-13(17)5-6-14(12)16/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyICVFGJATZOPHSO-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-(3-ethylcyclopentyl)ethanamine
CID 65412373
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
(3-ethylcyclopentyl)-(4-fluorophenyl)methanamine
CID 65410226
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 102622980
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
[2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233480
3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 102616760
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine (CID 102618995) is 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine is CCC1CCC(C(N)Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
The InChIKey is ICVFGJATZOPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-10-3-4-11(7-10)15(18)9-12-8-13(17)5-6-14(12)16/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine?
2-(2-chloro-5-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-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 102618995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).