4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline

C14H12BrCl2N — CID 43347291

IUPAC4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrCl2N/c1-9(10-2-5-12(16)6-3-10)18-14-7-4-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyZYWNCGQQGLGMJH-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.93
Rot. Bonds3

About 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline

4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline (PubChem CID 43347291) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
PubChem CID43347291
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrCl2N/c1-9(10-2-5-12(16)6-3-10)18-14-7-4-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyZYWNCGQQGLGMJH-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline (CID 43347291) is 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline is CC(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The InChIKey is ZYWNCGQQGLGMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9(10-2-5-12(16)6-3-10)18-14-7-4-11(15)8-13(14)17/h2-9,18H,1H3.
What are the key properties of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline has a molecular weight of 345.07 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 43347291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).