5-bromo-N-methyl-2-phenylaniline

C13H12BrN — CID 69363671

IUPAC5-bromo-N-methyl-2-phenylaniline
SMILESCNc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H12BrN/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyVOKKDOJJJFEDAN-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.16
Rot. Bonds2

About 5-bromo-N-methyl-2-phenylaniline

5-bromo-N-methyl-2-phenylaniline (PubChem CID 69363671) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-phenylaniline.

Molecular Properties

Compound Name5-bromo-N-methyl-2-phenylaniline
PubChem CID69363671
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name5-bromo-N-methyl-2-phenylaniline
SMILESCNc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H12BrN/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyVOKKDOJJJFEDAN-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
5-bromo-N-pentyl-2-phenylaniline
CID 156564317
4-bromo-N-methyl-2-phenylaniline;butanal
CID 156801590
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
CID 123674642
7,10-dibromo-1,4-diphenyltriphenylene
CID 142691015
(5-bromo-2-phenylphenyl)methanol
CID 59266499
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
CID 171394460
4-bromo-2-(chloromethyl)-1-phenylbenzene
CID 57057956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-phenylaniline?
The IUPAC name of 5-bromo-N-methyl-2-phenylaniline (CID 69363671) is 5-bromo-N-methyl-2-phenylaniline.
What is the SMILES notation for 5-bromo-N-methyl-2-phenylaniline?
The canonical SMILES for 5-bromo-N-methyl-2-phenylaniline is CNc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 5-bromo-N-methyl-2-phenylaniline?
The InChIKey is VOKKDOJJJFEDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9,15H,1H3.
What are the key properties of 5-bromo-N-methyl-2-phenylaniline?
5-bromo-N-methyl-2-phenylaniline has a molecular weight of 262.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-phenylaniline is sourced from PubChem (CID 69363671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).