2-bromo-N-[1-(2-bromophenyl)ethyl]aniline

C14H13Br2N — CID 43103209

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C14H13Br2N/c1-10(11-6-2-3-7-12(11)15)17-14-9-5-4-8-13(14)16/h2-10,17H,1H3
InChIKeyIQOYRYHFZXEOGF-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.38
Rot. Bonds3

About 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline

2-bromo-N-[1-(2-bromophenyl)ethyl]aniline (PubChem CID 43103209) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
PubChem CID43103209
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C14H13Br2N/c1-10(11-6-2-3-7-12(11)15)17-14-9-5-4-8-13(14)16/h2-10,17H,1H3
InChIKeyIQOYRYHFZXEOGF-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.07
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
N-[1-(2-bromophenyl)ethyl]-2-propylaniline
CID 43687403
N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
CID 172883004
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline
CID 114082620
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline (CID 43103209) is 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline is CC(Nc1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline?
The InChIKey is IQOYRYHFZXEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10(11-6-2-3-7-12(11)15)17-14-9-5-4-8-13(14)16/h2-10,17H,1H3.
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline?
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline has a molecular weight of 355.07 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromophenyl)ethyl]aniline is sourced from PubChem (CID 43103209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).