1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine

C17H22BrN3 — CID 102771609

IUPAC1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN(C)Cc2cccc(C)n2)c(Br)c1
InChIInChI=1S/C17H22BrN3/c1-13-5-4-6-16(20-13)12-21(3)11-15-8-7-14(10-19-2)9-17(15)18/h4-9,19H,10-12H2,1-3H3
InChIKeyLPNCUIRXDYBZBQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.50
Rot. Bonds6

About 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine (PubChem CID 102771609) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
PubChem CID102771609
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN(C)Cc2cccc(C)n2)c(Br)c1
InChIInChI=1S/C17H22BrN3/c1-13-5-4-6-16(20-13)12-21(3)11-15-8-7-14(10-19-2)9-17(15)18/h4-9,19H,10-12H2,1-3H3
InChIKeyLPNCUIRXDYBZBQ-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 102769753
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
N-methyl-2-[4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]ethanamine
CID 105348013
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 78995477
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-ethyl-3-fluoroaniline
CID 102770073
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 102770674
[3-bromo-4-[[(3-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102769331
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine (CID 102771609) is 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine is CNCc1ccc(CN(C)Cc2cccc(C)n2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is LPNCUIRXDYBZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-13-5-4-6-16(20-13)12-21(3)11-15-8-7-14(10-19-2)9-17(15)18/h4-9,19H,10-12H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 348.29 g/mol, XLogP of 3.50, 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-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102771609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).