N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline

C15H16BrN — CID 66472582

IUPACN-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(CNc2ccccc2C)ccc1Br
InChIInChI=1S/C15H16BrN/c1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)12(2)9-13/h3-9,17H,10H2,1-2H3
InChIKeyAAJMNRKFYOTXRO-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.68
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline

N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline (PubChem CID 66472582) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
PubChem CID66472582
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(CNc2ccccc2C)ccc1Br
InChIInChI=1S/C15H16BrN/c1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)12(2)9-13/h3-9,17H,10H2,1-2H3
InChIKeyAAJMNRKFYOTXRO-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

N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
CID 173173608
2-[(4-bromo-3-methylphenyl)methylamino]benzonitrile
CID 66473176
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66474810
N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
CID 66473623
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
4-[(4-bromo-3-methylphenyl)methylamino]-3-methylbenzoic acid
CID 66472608
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline (CID 66472582) is N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline is Cc1cc(CNc2ccccc2C)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline?
The InChIKey is AAJMNRKFYOTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)12(2)9-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline?
N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline 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 N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 66472582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).