2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone

C18H20N2O2 — CID 120668047

IUPAC2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-12-3-5-13(6-4-12)17(19)18(21)20-10-9-14-11-15(22-2)7-8-16(14)20/h3-8,11,17H,9-10,19H2,1-2H3
InChIKeyXSPOVFNXNGUJDS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 120668047) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID120668047
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-12-3-5-13(6-4-12)17(19)18(21)20-10-9-14-11-15(22-2)7-8-16(14)20/h3-8,11,17H,9-10,19H2,1-2H3
InChIKeyXSPOVFNXNGUJDS-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
CID 120790812
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667079
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone (CID 120668047) is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone is COc1ccc2c(c1)CCN2C(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is XSPOVFNXNGUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-3-5-13(6-4-12)17(19)18(21)20-10-9-14-11-15(22-2)7-8-16(14)20/h3-8,11,17H,9-10,19H2,1-2H3.
What are the key properties of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120668047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).