1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine

C12H17ClFN — CID 107884533

IUPAC1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFN/c1-3-10(15-4-2)7-9-5-6-11(13)12(14)8-9/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyXVOCQWDIQZUJBV-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.41
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine

1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine (PubChem CID 107884533) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
PubChem CID107884533
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFN/c1-3-10(15-4-2)7-9-5-6-11(13)12(14)8-9/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyXVOCQWDIQZUJBV-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine (CID 107884533) is 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine is CCNC(CC)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine?
The InChIKey is XVOCQWDIQZUJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-3-10(15-4-2)7-9-5-6-11(13)12(14)8-9/h5-6,8,10,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine?
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine has a molecular weight of 229.73 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 107884533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).