3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol

C14H20N2O — CID 83945302

IUPAC3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
SMILESCc1ccc2c(CCCO)cn(CCN)c2c1
InChIInChI=1S/C14H20N2O/c1-11-4-5-13-12(3-2-8-17)10-16(7-6-15)14(13)9-11/h4-5,9-10,17H,2-3,6-8,15H2,1H3
InChIKeyMVUHOIMDGNPAFA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.83
Rot. Bonds5

About 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol

3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol (PubChem CID 83945302) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
PubChem CID83945302
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
SMILESCc1ccc2c(CCCO)cn(CCN)c2c1
InChIInChI=1S/C14H20N2O/c1-11-4-5-13-12(3-2-8-17)10-16(7-6-15)14(13)9-11/h4-5,9-10,17H,2-3,6-8,15H2,1H3
InChIKeyMVUHOIMDGNPAFA-UHFFFAOYSA-N
XLogP1.83
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
CID 83944350
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
3-(1-cyclopropyl-6-methylindol-3-yl)propan-1-amine
CID 115036861
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol (CID 83945302) is 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol is Cc1ccc2c(CCCO)cn(CCN)c2c1.
What is the InChIKey of 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol?
The InChIKey is MVUHOIMDGNPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-5-13-12(3-2-8-17)10-16(7-6-15)14(13)9-11/h4-5,9-10,17H,2-3,6-8,15H2,1H3.
What are the key properties of 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol?
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol is sourced from PubChem (CID 83945302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).