1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine

C16H20BrN3 — CID 102769753

IUPAC1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN(C)Cc2ccccn2)c(Br)c1
InChIInChI=1S/C16H20BrN3/c1-18-10-13-6-7-14(16(17)9-13)11-20(2)12-15-5-3-4-8-19-15/h3-9,18H,10-12H2,1-2H3
InChIKeyYQZWMXCUXDPWSK-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.20
Rot. Bonds6

About 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine (PubChem CID 102769753) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
PubChem CID102769753
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN(C)Cc2ccccn2)c(Br)c1
InChIInChI=1S/C16H20BrN3/c1-18-10-13-6-7-14(16(17)9-13)11-20(2)12-15-5-3-4-8-19-15/h3-9,18H,10-12H2,1-2H3
InChIKeyYQZWMXCUXDPWSK-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102771609
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 54971683
methyl 3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 102767039
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 102770674

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine (CID 102769753) is 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine is CNCc1ccc(CN(C)Cc2ccccn2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is YQZWMXCUXDPWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-18-10-13-6-7-14(16(17)9-13)11-20(2)12-15-5-3-4-8-19-15/h3-9,18H,10-12H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102769753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).