1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine

C16H20ClN3 — CID 106906091

IUPAC1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-18-10-15-7-4-8-16(19-15)12-20(2)11-13-5-3-6-14(17)9-13/h3-9,18H,10-12H2,1-2H3
InChIKeyKPJNRZIYRSIAIM-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.09
Rot. Bonds6

About 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine

1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 106906091) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
PubChem CID106906091
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-18-10-15-7-4-8-16(19-15)12-20(2)11-13-5-3-6-14(17)9-13/h3-9,18H,10-12H2,1-2H3
InChIKeyKPJNRZIYRSIAIM-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
6-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79243754
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 106993559
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
1-cyclohexyl-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106905342
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine (CID 106906091) is 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(CN(C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is KPJNRZIYRSIAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-18-10-15-7-4-8-16(19-15)12-20(2)11-13-5-3-6-14(17)9-13/h3-9,18H,10-12H2,1-2H3.
What are the key properties of 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine?
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106906091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).