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

C16H18BrN — CID 82761087

IUPAC2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
SMILESCc1ccc(CNc2cc(C)ccc2Br)c(C)c1
InChIInChI=1S/C16H18BrN/c1-11-4-6-14(13(3)8-11)10-18-16-9-12(2)5-7-15(16)17/h4-9,18H,10H2,1-3H3
InChIKeyUUYJMIIJYPAOQN-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.99
Rot. Bonds3

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

2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline (PubChem CID 82761087) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
PubChem CID82761087
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
SMILESCc1ccc(CNc2cc(C)ccc2Br)c(C)c1
InChIInChI=1S/C16H18BrN/c1-11-4-6-14(13(3)8-11)10-18-16-9-12(2)5-7-15(16)17/h4-9,18H,10H2,1-3H3
InChIKeyUUYJMIIJYPAOQN-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

2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-5-methylaniline
CID 82761487
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
2-[(2-bromo-5-methylanilino)methyl]benzonitrile
CID 103865844
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline (CID 82761087) is 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline is Cc1ccc(CNc2cc(C)ccc2Br)c(C)c1.
What is the InChIKey of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
The InChIKey is UUYJMIIJYPAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-11-4-6-14(13(3)8-11)10-18-16-9-12(2)5-7-15(16)17/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline?
2-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 2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 82761087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).