5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one

C15H23NO3 — CID 115236571

IUPAC5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
SMILESCOc1ccc(OC)c(CN(C)CCCC(C)=O)c1
InChIInChI=1S/C15H23NO3/c1-12(17)6-5-9-16(2)11-13-10-14(18-3)7-8-15(13)19-4/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyPAARZHSRYSKGEB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds8

About 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one

5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one (PubChem CID 115236571) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
PubChem CID115236571
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
SMILESCOc1ccc(OC)c(CN(C)CCCC(C)=O)c1
InChIInChI=1S/C15H23NO3/c1-12(17)6-5-9-16(2)11-13-10-14(18-3)7-8-15(13)19-4/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyPAARZHSRYSKGEB-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-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

5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
methyl 4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]butanoate
CID 62012294
(E)-4-[(2,5-dimethoxyphenyl)methyl-methylamino]but-2-enoic acid
CID 115237180
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
CID 115236590
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one (CID 115236571) is 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one is COc1ccc(OC)c(CN(C)CCCC(C)=O)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
The InChIKey is PAARZHSRYSKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(17)6-5-9-16(2)11-13-10-14(18-3)7-8-15(13)19-4/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one?
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one is sourced from PubChem (CID 115236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).