2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one

C15H18N2O2 — CID 11139785

IUPAC2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCc1cc(=O)c(OCc2ccccc2)c(CN)n1C
InChIInChI=1S/C15H18N2O2/c1-11-8-14(18)15(13(9-16)17(11)2)19-10-12-6-4-3-5-7-12/h3-8H,9-10,16H2,1-2H3
InChIKeyYWDKTOKVJMCHGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds4

About 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one

2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one (PubChem CID 11139785) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one
PubChem CID11139785
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCc1cc(=O)c(OCc2ccccc2)c(CN)n1C
InChIInChI=1S/C15H18N2O2/c1-11-8-14(18)15(13(9-16)17(11)2)19-10-12-6-4-3-5-7-12/h3-8H,9-10,16H2,1-2H3
InChIKeyYWDKTOKVJMCHGW-UHFFFAOYSA-N
XLogP1.73
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2726416
CID 2726416
CID 162666832
CID 162666832
CID 162671445
CID 162671445
CID 14956281
CID 14956281
CID 164615660
CID 164615660
CID 14956282
CID 14956282
CID 14956289
CID 14956289
CID 44328255
CID 44328255
CID 18997168
CID 18997168
CID 14956286
CID 14956286
CID 14956290
CID 14956290
CID 16852791
CID 16852791

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one (CID 11139785) is 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one is Cc1cc(=O)c(OCc2ccccc2)c(CN)n1C.
What is the InChIKey of 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The InChIKey is YWDKTOKVJMCHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-8-14(18)15(13(9-16)17(11)2)19-10-12-6-4-3-5-7-12/h3-8H,9-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 11139785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).