1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone

C13H19NO3 — CID 67560086

IUPAC1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
SMILESCCCNc1cc(OC)c(OC)cc1C(C)=O
InChIInChI=1S/C13H19NO3/c1-5-6-14-11-8-13(17-4)12(16-3)7-10(11)9(2)15/h7-8,14H,5-6H2,1-4H3
InChIKeyUVMAIVLXXNIXMA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.73
Rot. Bonds6

About 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone

1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone (PubChem CID 67560086) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
PubChem CID67560086
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
SMILESCCCNc1cc(OC)c(OC)cc1C(C)=O
InChIInChI=1S/C13H19NO3/c1-5-6-14-11-8-13(17-4)12(16-3)7-10(11)9(2)15/h7-8,14H,5-6H2,1-4H3
InChIKeyUVMAIVLXXNIXMA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(heptylamino)-4,5-dimethoxybenzoic acid
CID 82096479
ethane;2-(ethylamino)-4,5-dimethoxybenzoic acid
CID 142222360
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
CID 70115907
methyl 5-chloro-2-methoxy-4-(propylamino)benzoate
CID 18322280
2-chloro-4,5-dimethoxy-N-propylaniline
CID 43712569
2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
CID 610932
N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 70092647
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone
CID 167425461
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
2-(butanoylamino)-4,5-dimethoxybenzoate
CID 7165151

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone?
The IUPAC name of 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone (CID 67560086) is 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone?
The canonical SMILES for 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone is CCCNc1cc(OC)c(OC)cc1C(C)=O.
What is the InChIKey of 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone?
The InChIKey is UVMAIVLXXNIXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-6-14-11-8-13(17-4)12(16-3)7-10(11)9(2)15/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone?
1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone is sourced from PubChem (CID 67560086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).