1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

C15H18N2O2 — CID 737884

IUPAC1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccccn2)cc1OC
InChIInChI=1S/C15H18N2O2/c1-18-14-7-6-12(9-15(14)19-2)10-16-11-13-5-3-4-8-17-13/h3-9,16H,10-11H2,1-2H3
InChIKeyKIWKMQVDUPBSIP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 737884) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID737884
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccccn2)cc1OC
InChIInChI=1S/C15H18N2O2/c1-18-14-7-6-12(9-15(14)19-2)10-16-11-13-5-3-4-8-17-13/h3-9,16H,10-11H2,1-2H3
InChIKeyKIWKMQVDUPBSIP-UHFFFAOYSA-N
XLogP2.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 737884) is 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is COc1ccc(CNCc2ccccn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is KIWKMQVDUPBSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-7-6-12(9-15(14)19-2)10-16-11-13-5-3-4-8-17-13/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 737884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).