2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline

C14H12Br3N — CID 28991909

IUPAC2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C14H12Br3N/c1-9-3-2-4-10(5-9)8-18-14-12(16)6-11(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyMILXHJUEGRTLSM-UHFFFAOYSA-N
MW433.97 g/mol
LogP5.89
Rot. Bonds3

About 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline

2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline (PubChem CID 28991909) has the molecular formula C14H12Br3N and a molecular weight of 433.97 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
PubChem CID28991909
Molecular FormulaC14H12Br3N
Molecular Weight433.97 g/mol
Exact Mass430.85
IUPAC Name2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C14H12Br3N/c1-9-3-2-4-10(5-9)8-18-14-12(16)6-11(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyMILXHJUEGRTLSM-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.97
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4,6-tribromoanilino)methyl]benzonitrile
CID 28991857
2,6-dibromo-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 79979126
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
CID 81260326
2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 63425740
2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 106890024
2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
CID 82762195
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230523

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline (CID 28991909) is 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CNc2c(Br)cc(Br)cc2Br)c1.
What is the InChIKey of 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is MILXHJUEGRTLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3N/c1-9-3-2-4-10(5-9)8-18-14-12(16)6-11(15)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline?
2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 433.97 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 28991909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).