3-bromo-N-phenylaniline

C12H10BrN — CID 14958606

IUPAC3-bromo-N-phenylaniline
SMILESBrc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C12H10BrN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChIKeyIXTBFWCKFRFDOO-UHFFFAOYSA-N
MW248.12 g/mol
LogP4.19
Rot. Bonds2

About 3-bromo-N-phenylaniline

3-bromo-N-phenylaniline (PubChem CID 14958606) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-bromo-N-phenylaniline.

Molecular Properties

Compound Name3-bromo-N-phenylaniline
PubChem CID14958606
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name3-bromo-N-phenylaniline
SMILESBrc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C12H10BrN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChIKeyIXTBFWCKFRFDOO-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromoanilino)benzoic acid
CID 55049149
4-N-(3-bromophenyl)benzene-1,2,4-triamine
CID 106750334
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
azane;N-phenylaniline
CID 67074378
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
3-fluoro-N-phenylaniline
CID 2774466
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
CID 175904297
CID 175904297
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenylaniline?
The IUPAC name of 3-bromo-N-phenylaniline (CID 14958606) is 3-bromo-N-phenylaniline.
What is the SMILES notation for 3-bromo-N-phenylaniline?
The canonical SMILES for 3-bromo-N-phenylaniline is Brc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-bromo-N-phenylaniline?
The InChIKey is IXTBFWCKFRFDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H.
What are the key properties of 3-bromo-N-phenylaniline?
3-bromo-N-phenylaniline has a molecular weight of 248.12 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenylaniline is sourced from PubChem (CID 14958606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).