N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

C16H18BrN — CID 55027528

IUPACN-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C16H18BrN/c1-13-7-9-14(10-8-13)11-18(2)12-15-5-3-4-6-16(15)17/h3-10H,11-12H2,1-2H3
InChIKeyKMNNXBJIGPVOJO-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.39
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 55027528) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID55027528
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C16H18BrN/c1-13-7-9-14(10-8-13)11-18(2)12-15-5-3-4-6-16(15)17/h3-10H,11-12H2,1-2H3
InChIKeyKMNNXBJIGPVOJO-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
4-bromo-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 115297546
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 43473283
3-bromo-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43349678
2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43509157
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 55027528) is N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)Cc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is KMNNXBJIGPVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-13-7-9-14(10-8-13)11-18(2)12-15-5-3-4-6-16(15)17/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 55027528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).