1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

C16H15ClF3N — CID 82888806

IUPAC1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClF3N/c1-9(11-3-5-14(17)16(20)7-11)21-10(2)13-8-12(18)4-6-15(13)19/h3-10,21H,1-2H3
InChIKeyVJEMNXFXEIXHMW-UHFFFAOYSA-N
MW313.75 g/mol
LogP5.17
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (PubChem CID 82888806) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
PubChem CID82888806
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15ClF3N/c1-9(11-3-5-14(17)16(20)7-11)21-10(2)13-8-12(18)4-6-15(13)19/h3-10,21H,1-2H3
InChIKeyVJEMNXFXEIXHMW-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.75
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
CID 43779230
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (CID 82888806) is 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is CC(NC(C)c1cc(F)ccc1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is VJEMNXFXEIXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-9(11-3-5-14(17)16(20)7-11)21-10(2)13-8-12(18)4-6-15(13)19/h3-10,21H,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 313.75 g/mol, XLogP of 5.17, 4 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-[1-(2,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 82888806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).