1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone

C15H22N2O2 — CID 82259710

IUPAC1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1c2ccc(CC(C)N)cc2CC1C
InChIInChI=1S/C15H22N2O2/c1-10(16)6-12-4-5-14-13(8-12)7-11(2)17(14)15(18)9-19-3/h4-5,8,10-11H,6-7,9,16H2,1-3H3
InChIKeyRTKVNMBZNUSSTG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds4

About 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone

1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone (PubChem CID 82259710) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone
PubChem CID82259710
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1c2ccc(CC(C)N)cc2CC1C
InChIInChI=1S/C15H22N2O2/c1-10(16)6-12-4-5-14-13(8-12)7-11(2)17(14)15(18)9-19-3/h4-5,8,10-11H,6-7,9,16H2,1-3H3
InChIKeyRTKVNMBZNUSSTG-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[1-(2-methoxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259058
1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 82259999
1-[5-(2-bromopentyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82259375
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352099
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096
1-[2-methyl-5-(2-piperazin-1-ylpropyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260617
1-[5-(2-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82341084
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
1-[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259189
1-[5-(2-chloroethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82260520
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4881991

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone (CID 82259710) is 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone is COCC(=O)N1c2ccc(CC(C)N)cc2CC1C.
What is the InChIKey of 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The InChIKey is RTKVNMBZNUSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(16)6-12-4-5-14-13(8-12)7-11(2)17(14)15(18)9-19-3/h4-5,8,10-11H,6-7,9,16H2,1-3H3.
What are the key properties of 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone?
1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone has a molecular weight of 262.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone is sourced from PubChem (CID 82259710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).