1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

C17H21BrN2 — CID 62437137

IUPAC1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1CN(C)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2/c1-19-11-14-7-3-4-8-15(14)12-20(2)13-16-9-5-6-10-17(16)18/h3-10,19H,11-13H2,1-2H3
InChIKeyNJFFXJBVBGAQOS-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.80
Rot. Bonds6

About 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 62437137) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID62437137
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1CN(C)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2/c1-19-11-14-7-3-4-8-15(14)12-20(2)13-16-9-5-6-10-17(16)18/h3-10,19H,11-13H2,1-2H3
InChIKeyNJFFXJBVBGAQOS-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103069628
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (CID 62437137) is 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is CNCc1ccccc1CN(C)Cc1ccccc1Br.
What is the InChIKey of 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is NJFFXJBVBGAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-19-11-14-7-3-4-8-15(14)12-20(2)13-16-9-5-6-10-17(16)18/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 333.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62437137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).