3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one

C14H18N2O2 — CID 82118498

IUPAC3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
SMILESCOc1ccc2c(c1)c(C(=O)CCN)c(C)n2C
InChIInChI=1S/C14H18N2O2/c1-9-14(13(17)6-7-15)11-8-10(18-3)4-5-12(11)16(9)2/h4-5,8H,6-7,15H2,1-3H3
InChIKeyLHURBPHFOAQIOE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one

3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one (PubChem CID 82118498) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
PubChem CID82118498
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
SMILESCOc1ccc2c(c1)c(C(=O)CCN)c(C)n2C
InChIInChI=1S/C14H18N2O2/c1-9-14(13(17)6-7-15)11-8-10(18-3)4-5-12(11)16(9)2/h4-5,8H,6-7,15H2,1-3H3
InChIKeyLHURBPHFOAQIOE-UHFFFAOYSA-N
XLogP2.03
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-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

1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperidin-1-ium-4-one
CID 7370847
3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
CID 91638253
2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
CID 82661041
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 718268
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 916245
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one (CID 82118498) is 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one is COc1ccc2c(c1)c(C(=O)CCN)c(C)n2C.
What is the InChIKey of 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one?
The InChIKey is LHURBPHFOAQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-14(13(17)6-7-15)11-8-10(18-3)4-5-12(11)16(9)2/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one?
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one is sourced from PubChem (CID 82118498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).