3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline

C15H16BrN — CID 39395065

IUPAC3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H16BrN/c1-11-3-6-13(7-4-11)10-17-14-8-5-12(2)15(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyGTDRAORTWLBRAI-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.68
Rot. Bonds3

About 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline

3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 39395065) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID39395065
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H16BrN/c1-11-3-6-13(7-4-11)10-17-14-8-5-12(2)15(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyGTDRAORTWLBRAI-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[(3-bromo-4-methylanilino)methyl]phenyl]acetic acid
CID 103251368
3-bromo-4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 63463129
3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[(3-bromo-4-methylphenyl)methyl]-3-iodo-4-methylaniline
CID 105401249
3-bromo-N-[(4-methylphenyl)methyl]-4-nitroaniline
CID 82864429
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
N-[(3-bromo-4-methylphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115876094
5-[(3-bromo-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 103756678
4-[(3-bromo-4-methylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103251369

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline (CID 39395065) is 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is GTDRAORTWLBRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11-3-6-13(7-4-11)10-17-14-8-5-12(2)15(16)9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline?
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 290.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 39395065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).