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

C16H20N2O2 — CID 63305768

IUPAC1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ncccc2C)c1OC
InChIInChI=1S/C16H20N2O2/c1-12-6-5-9-18-14(12)11-17-10-13-7-4-8-15(19-2)16(13)20-3/h4-9,17H,10-11H2,1-3H3
InChIKeyZTBAYGVSWJOZFF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.70
Rot. Bonds6

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

1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 63305768) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID63305768
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ncccc2C)c1OC
InChIInChI=1S/C16H20N2O2/c1-12-6-5-9-18-14(12)11-17-10-13-7-4-8-15(19-2)16(13)20-3/h4-9,17H,10-11H2,1-3H3
InChIKeyZTBAYGVSWJOZFF-UHFFFAOYSA-N
XLogP2.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
CID 63305798
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305695
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 63305768) is 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is COc1cccc(CNCc2ncccc2C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is ZTBAYGVSWJOZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-6-5-9-18-14(12)11-17-10-13-7-4-8-15(19-2)16(13)20-3/h4-9,17H,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 63305768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).