3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol

C13H20N2O — CID 117202604

IUPAC3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
SMILESCCN1CC(CCCN)c2cc(O)ccc21
InChIInChI=1S/C13H20N2O/c1-2-15-9-10(4-3-7-14)12-8-11(16)5-6-13(12)15/h5-6,8,10,16H,2-4,7,9,14H2,1H3
InChIKeyVSXLSBDQSMKRGF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.05
Rot. Bonds4

About 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol

3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol (PubChem CID 117202604) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
PubChem CID117202604
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
SMILESCCN1CC(CCCN)c2cc(O)ccc21
InChIInChI=1S/C13H20N2O/c1-2-15-9-10(4-3-7-14)12-8-11(16)5-6-13(12)15/h5-6,8,10,16H,2-4,7,9,14H2,1H3
InChIKeyVSXLSBDQSMKRGF-UHFFFAOYSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
CID 117202549
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117200137
2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202262
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117201853
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117202263
2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 117203437
3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine
CID 117203809
3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
CID 83960227
2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235614

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol?
The IUPAC name of 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol (CID 117202604) is 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol.
What is the SMILES notation for 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol?
The canonical SMILES for 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol is CCN1CC(CCCN)c2cc(O)ccc21.
What is the InChIKey of 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol?
The InChIKey is VSXLSBDQSMKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-9-10(4-3-7-14)12-8-11(16)5-6-13(12)15/h5-6,8,10,16H,2-4,7,9,14H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol?
3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol has a molecular weight of 220.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol is sourced from PubChem (CID 117202604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).