[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone

C16H22N2O2 — CID 63234920

IUPAC[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone
SMILESNCCC1CN(C(=O)C2CCOCC2)c2ccccc21
InChIInChI=1S/C16H22N2O2/c17-8-5-13-11-18(15-4-2-1-3-14(13)15)16(19)12-6-9-20-10-7-12/h1-4,12-13H,5-11,17H2
InChIKeyCKUHVGCVSMIXFZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.89
Rot. Bonds3

About [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone (PubChem CID 63234920) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone
PubChem CID63234920
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone
SMILESNCCC1CN(C(=O)C2CCOCC2)c2ccccc21
InChIInChI=1S/C16H22N2O2/c17-8-5-13-11-18(15-4-2-1-3-14(13)15)16(19)12-6-9-20-10-7-12/h1-4,12-13H,5-11,17H2
InChIKeyCKUHVGCVSMIXFZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone 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

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-cyclohex-3-en-1-ylmethanone
CID 63235557
2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573868
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 63235966
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone
CID 63235429
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63235783
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949470
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96569870
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 63235606
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808318
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 63235664

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone (CID 63234920) is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone is NCCC1CN(C(=O)C2CCOCC2)c2ccccc21.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone?
The InChIKey is CKUHVGCVSMIXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-8-5-13-11-18(15-4-2-1-3-14(13)15)16(19)12-6-9-20-10-7-12/h1-4,12-13H,5-11,17H2.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone?
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 63234920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).