N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline

C17H21BrN2 — CID 102770280

IUPACN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
SMILESCNCc1ccc(CN(C)c2cccc(C)c2)c(Br)c1
InChIInChI=1S/C17H21BrN2/c1-13-5-4-6-16(9-13)20(3)12-15-8-7-14(11-19-2)10-17(15)18/h4-10,19H,11-12H2,1-3H3
InChIKeyHNZKQBDFLLIALG-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.11
Rot. Bonds5

About N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline (PubChem CID 102770280) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
PubChem CID102770280
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
SMILESCNCc1ccc(CN(C)c2cccc(C)c2)c(Br)c1
InChIInChI=1S/C17H21BrN2/c1-13-5-4-6-16(9-13)20(3)12-15-8-7-14(11-19-2)10-17(15)18/h4-10,19H,11-12H2,1-3H3
InChIKeyHNZKQBDFLLIALG-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
3-bromo-4-[(N,3-dimethylanilino)methyl]aniline
CID 62003155
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-ethyl-3-fluoroaniline
CID 102770073
1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102771609
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline (CID 102770280) is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline is CNCc1ccc(CN(C)c2cccc(C)c2)c(Br)c1.
What is the InChIKey of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline?
The InChIKey is HNZKQBDFLLIALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13-5-4-6-16(9-13)20(3)12-15-8-7-14(11-19-2)10-17(15)18/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline?
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline has a molecular weight of 333.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 102770280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).