3-amino-1-(2,4-dimethoxyphenyl)propan-1-one

C11H15NO3 — CID 93183350

IUPAC3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c(OC)c1
InChIInChI=1S/C11H15NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyDEKFTPFQDDIRKW-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.24
Rot. Bonds5

About 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one

3-amino-1-(2,4-dimethoxyphenyl)propan-1-one (PubChem CID 93183350) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
PubChem CID93183350
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c(OC)c1
InChIInChI=1S/C11H15NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyDEKFTPFQDDIRKW-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-(2,4-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698324
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone
CID 116599360
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
1-(2,4-dimethoxyphenyl)pent-3-yn-1-one
CID 114964937
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one (CID 93183350) is 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one is COc1ccc(C(=O)CCN)c(OC)c1.
What is the InChIKey of 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one?
The InChIKey is DEKFTPFQDDIRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one?
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one has a molecular weight of 209.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 93183350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).