1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine

C13H19ClFN — CID 62602369

IUPAC1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
SMILESCCCC(Cc1ccc(F)cc1Cl)NCC
InChIInChI=1S/C13H19ClFN/c1-3-5-12(16-4-2)8-10-6-7-11(15)9-13(10)14/h6-7,9,12,16H,3-5,8H2,1-2H3
InChIKeyXCNYMQCVFVTWOI-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine

1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine (PubChem CID 62602369) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
PubChem CID62602369
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
SMILESCCCC(Cc1ccc(F)cc1Cl)NCC
InChIInChI=1S/C13H19ClFN/c1-3-5-12(16-4-2)8-10-6-7-11(15)9-13(10)14/h6-7,9,12,16H,3-5,8H2,1-2H3
InChIKeyXCNYMQCVFVTWOI-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
CID 107009055
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474615
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 102619141
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine (CID 62602369) is 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine is CCCC(Cc1ccc(F)cc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine?
The InChIKey is XCNYMQCVFVTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-5-12(16-4-2)8-10-6-7-11(15)9-13(10)14/h6-7,9,12,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine?
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine has a molecular weight of 243.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 62602369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).