(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone

C18H20N2O — CID 83210065

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCc3cc(C)c(N)cc32)cc1
InChIInChI=1S/C18H20N2O/c1-3-13-4-6-14(7-5-13)18(21)20-9-8-15-10-12(2)16(19)11-17(15)20/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyIGAUVBAXJPYSOD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.34
Rot. Bonds2

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone (PubChem CID 83210065) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
PubChem CID83210065
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCc3cc(C)c(N)cc32)cc1
InChIInChI=1S/C18H20N2O/c1-3-13-4-6-14(7-5-13)18(21)20-9-8-15-10-12(2)16(19)11-17(15)20/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyIGAUVBAXJPYSOD-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
CID 83213262
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 83210068
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 83213348
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 83210635
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-methylphenyl)methanone
CID 83209869
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 83211587

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone (CID 83210065) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCc3cc(C)c(N)cc32)cc1.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone?
The InChIKey is IGAUVBAXJPYSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-13-4-6-14(7-5-13)18(21)20-9-8-15-10-12(2)16(19)11-17(15)20/h4-7,10-11H,3,8-9,19H2,1-2H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 83210065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).