3-[(2-bromophenyl)methyl]-2,5-dimethylaniline

C15H16BrN — CID 154647746

IUPAC3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(Cc2ccccc2Br)c1
InChIInChI=1S/C15H16BrN/c1-10-7-13(11(2)15(17)8-10)9-12-5-3-4-6-14(12)16/h3-8H,9,17H2,1-2H3
InChIKeyOAFCTUOVKGRWBJ-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.24
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline

3-[(2-bromophenyl)methyl]-2,5-dimethylaniline (PubChem CID 154647746) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
PubChem CID154647746
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(Cc2ccccc2Br)c1
InChIInChI=1S/C15H16BrN/c1-10-7-13(11(2)15(17)8-10)9-12-5-3-4-6-14(12)16/h3-8H,9,17H2,1-2H3
InChIKeyOAFCTUOVKGRWBJ-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125164
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
2-[(2-bromophenyl)methyl]-N-methylaniline
CID 67799221
3-[(2-bromo-4-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 154647942
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 63420181
3-N-[(2-bromophenyl)methyl]-3-N,5-dimethylbenzene-1,3-diamine
CID 112647329
5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
CID 154647758
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline
CID 82645764
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
3-[(2-bromophenyl)methyl]-4,5-dimethyl-1H-pyrazole
CID 82486533

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline?
The IUPAC name of 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline (CID 154647746) is 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline is Cc1cc(N)c(C)c(Cc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline?
The InChIKey is OAFCTUOVKGRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-10-7-13(11(2)15(17)8-10)9-12-5-3-4-6-14(12)16/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline?
3-[(2-bromophenyl)methyl]-2,5-dimethylaniline has a molecular weight of 290.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 154647746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).