3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline

C16H18BrN — CID 107582067

IUPAC3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
SMILESCc1cc(Br)cc(NCc2ccc(C)cc2C)c1
InChIInChI=1S/C16H18BrN/c1-11-4-5-14(13(3)6-11)10-18-16-8-12(2)7-15(17)9-16/h4-9,18H,10H2,1-3H3
InChIKeyUCLHLDYXGWPKSG-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.99
Rot. Bonds3

About 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline

3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline (PubChem CID 107582067) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
PubChem CID107582067
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
SMILESCc1cc(Br)cc(NCc2ccc(C)cc2C)c1
InChIInChI=1S/C16H18BrN/c1-11-4-5-14(13(3)6-11)10-18-16-8-12(2)7-15(17)9-16/h4-9,18H,10H2,1-3H3
InChIKeyUCLHLDYXGWPKSG-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 107582495
3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
CID 107582552
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
2-[(3-bromo-5-methylanilino)methyl]benzoic acid
CID 107584215
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
CID 106863048
4-[(3-bromo-5-methylanilino)methyl]-3-chlorobenzonitrile
CID 107583304
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
CID 107582089
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline (CID 107582067) is 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline is Cc1cc(Br)cc(NCc2ccc(C)cc2C)c1.
What is the InChIKey of 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
The InChIKey is UCLHLDYXGWPKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-11-4-5-14(13(3)6-11)10-18-16-8-12(2)7-15(17)9-16/h4-9,18H,10H2,1-3H3.
What are the key properties of 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline has a molecular weight of 304.23 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107582067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).