1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone

C13H19NO2 — CID 82101767

IUPAC1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO2/c1-4-7-14-9-12(15)11-5-6-13(16-3)10(2)8-11/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyMRQRCIIDECHEHE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds6

About 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone

1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone (PubChem CID 82101767) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
PubChem CID82101767
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO2/c1-4-7-14-9-12(15)11-5-6-13(16-3)10(2)8-11/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyMRQRCIIDECHEHE-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82101774
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
CID 142928998
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone (CID 82101767) is 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone is CCCNCC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone?
The InChIKey is MRQRCIIDECHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-7-14-9-12(15)11-5-6-13(16-3)10(2)8-11/h5-6,8,14H,4,7,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone?
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone is sourced from PubChem (CID 82101767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).