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

C17H18N2O2 — CID 83210260

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(C)c(N)cc32)c1
InChIInChI=1S/C17H18N2O2/c1-11-8-12-6-7-19(16(12)10-15(11)18)17(20)13-4-3-5-14(9-13)21-2/h3-5,8-10H,6-7,18H2,1-2H3
InChIKeyAGDKKNRBAUBPHT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.79
Rot. Bonds2

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

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 83210260) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
PubChem CID83210260
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(C)c(N)cc32)c1
InChIInChI=1S/C17H18N2O2/c1-11-8-12-6-7-19(16(12)10-15(11)18)17(20)13-4-3-5-14(9-13)21-2/h3-5,8-10H,6-7,18H2,1-2H3
InChIKeyAGDKKNRBAUBPHT-UHFFFAOYSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
(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-ethylphenyl)methanone
CID 83210065
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-methylphenyl)methanone
CID 83209869
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107948882
(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)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 83212613
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
CID 83209308

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone (CID 83210260) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCc3cc(C)c(N)cc32)c1.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is AGDKKNRBAUBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-8-12-6-7-19(16(12)10-15(11)18)17(20)13-4-3-5-14(9-13)21-2/h3-5,8-10H,6-7,18H2,1-2H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 83210260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).