1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

C16H20N2O3 — CID 60761596

IUPAC1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1cccc(CNCc2cccnc2OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-14-8-4-6-12(15(14)20-2)10-17-11-13-7-5-9-18-16(13)21-3/h4-9,17H,10-11H2,1-3H3
InChIKeyGXEIDSJPFXLEOP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (PubChem CID 60761596) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
PubChem CID60761596
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1cccc(CNCc2cccnc2OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-14-8-4-6-12(15(14)20-2)10-17-11-13-7-5-9-18-16(13)21-3/h4-9,17H,10-11H2,1-3H3
InChIKeyGXEIDSJPFXLEOP-UHFFFAOYSA-N
XLogP2.40
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (CID 60761596) is 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is COc1cccc(CNCc2cccnc2OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is GXEIDSJPFXLEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-8-4-6-12(15(14)20-2)10-17-11-13-7-5-9-18-16(13)21-3/h4-9,17H,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 60761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).