2-[(2-bromophenyl)methyl]-N-methylaniline

C14H14BrN — CID 67799221

IUPAC2-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCNc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C14H14BrN/c1-16-14-9-5-3-7-12(14)10-11-6-2-4-8-13(11)15/h2-9,16H,10H2,1H3
InChIKeyMZMJYBVIPHPKNZ-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.08
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]-N-methylaniline

2-[(2-bromophenyl)methyl]-N-methylaniline (PubChem CID 67799221) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-methylaniline
PubChem CID67799221
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name2-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCNc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C14H14BrN/c1-16-14-9-5-3-7-12(14)10-11-6-2-4-8-13(11)15/h2-9,16H,10H2,1H3
InChIKeyMZMJYBVIPHPKNZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-(methylaminomethyl)aniline
CID 576504
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
2-(2-chloroethyl)-N-methylaniline
CID 54331178
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
CID 154647746
1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine
CID 88866227
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-butyl-N-methylaniline;hydrochloride
CID 67695617
5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 82054770
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
[2-(methylamino)phenyl]methanesulfinate
CID 130412847

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-methylaniline (CID 67799221) is 2-[(2-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-methylaniline is CNc1ccccc1Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-methylaniline?
The InChIKey is MZMJYBVIPHPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-16-14-9-5-3-7-12(14)10-11-6-2-4-8-13(11)15/h2-9,16H,10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-methylaniline?
2-[(2-bromophenyl)methyl]-N-methylaniline has a molecular weight of 276.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 67799221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).