2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline

C14H12BrCl2N — CID 103478545

IUPAC2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrCl2N/c1-9(10-4-2-5-11(16)8-10)18-13-7-3-6-12(17)14(13)15/h2-9,18H,1H3
InChIKeyLGYRJVRBVAKHLX-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.93
Rot. Bonds3

About 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline

2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline (PubChem CID 103478545) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
PubChem CID103478545
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrCl2N/c1-9(10-4-2-5-11(16)8-10)18-13-7-3-6-12(17)14(13)15/h2-9,18H,1H3
InChIKeyLGYRJVRBVAKHLX-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

3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
3-chloro-N-[1-(3-chlorophenyl)ethyl]-2-nitroaniline
CID 104835777
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
CID 103478414
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline (CID 103478545) is 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline is CC(Nc1cccc(Cl)c1Br)c1cccc(Cl)c1.
What is the InChIKey of 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline?
The InChIKey is LGYRJVRBVAKHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9(10-4-2-5-11(16)8-10)18-13-7-3-6-12(17)14(13)15/h2-9,18H,1H3.
What are the key properties of 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline?
2-bromo-3-chloro-N-[1-(3-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 2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 103478545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).