N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine

C16H16Cl2FN — CID 43108630

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NC(C)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2FN/c1-10(12-3-6-14(17)7-4-12)20-11(2)13-5-8-16(19)15(18)9-13/h3-11,20H,1-2H3
InChIKeyGDJNEGZQJRLIBG-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.54
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine

N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 43108630) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
PubChem CID43108630
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NC(C)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2FN/c1-10(12-3-6-14(17)7-4-12)20-11(2)13-5-8-16(19)15(18)9-13/h3-11,20H,1-2H3
InChIKeyGDJNEGZQJRLIBG-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
N-[1-(3-chloro-4-fluorophenyl)ethyl]pentan-2-amine
CID 43093581
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388525
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
1-(3-chloro-4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282063
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine (CID 43108630) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine is CC(NC(C)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is GDJNEGZQJRLIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-10(12-3-6-14(17)7-4-12)20-11(2)13-5-8-16(19)15(18)9-13/h3-11,20H,1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 43108630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).