1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one

C13H19NO3 — CID 115234740

IUPAC1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
SMILESCOc1ccc(CNCC(C)=O)c(OC)c1C
InChIInChI=1S/C13H19NO3/c1-9(15)7-14-8-11-5-6-12(16-3)10(2)13(11)17-4/h5-6,14H,7-8H2,1-4H3
InChIKeyINABBDOQAFZFOY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds6

About 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one

1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one (PubChem CID 115234740) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
PubChem CID115234740
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
SMILESCOc1ccc(CNCC(C)=O)c(OC)c1C
InChIInChI=1S/C13H19NO3/c1-9(15)7-14-8-11-5-6-12(16-3)10(2)13(11)17-4/h5-6,14H,7-8H2,1-4H3
InChIKeyINABBDOQAFZFOY-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethoxybenzamide
CID 110783214
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257877
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
CID 115154202

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one?
The IUPAC name of 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one (CID 115234740) is 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one.
What is the SMILES notation for 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one?
The canonical SMILES for 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one is COc1ccc(CNCC(C)=O)c(OC)c1C.
What is the InChIKey of 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one?
The InChIKey is INABBDOQAFZFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(15)7-14-8-11-5-6-12(16-3)10(2)13(11)17-4/h5-6,14H,7-8H2,1-4H3.
What are the key properties of 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one?
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one is sourced from PubChem (CID 115234740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).