3-(2-aminoethyl)-1-methyl-2H-indol-3-ol

C11H16N2O — CID 82402600

IUPAC3-(2-aminoethyl)-1-methyl-2H-indol-3-ol
SMILESCN1CC(O)(CCN)c2ccccc21
InChIInChI=1S/C11H16N2O/c1-13-8-11(14,6-7-12)9-4-2-3-5-10(9)13/h2-5,14H,6-8,12H2,1H3
InChIKeyIVKZNHLYMGIDPE-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.67
Rot. Bonds2

About 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol

3-(2-aminoethyl)-1-methyl-2H-indol-3-ol (PubChem CID 82402600) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-methyl-2H-indol-3-ol
PubChem CID82402600
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(2-aminoethyl)-1-methyl-2H-indol-3-ol
SMILESCN1CC(O)(CCN)c2ccccc21
InChIInChI=1S/C11H16N2O/c1-13-8-11(14,6-7-12)9-4-2-3-5-10(9)13/h2-5,14H,6-8,12H2,1H3
InChIKeyIVKZNHLYMGIDPE-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol
CID 125493981
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
CID 83752978
[4-(aminomethyl)-1-methyl-2,3-dihydroquinolin-4-yl]methanol
CID 83854326
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
1-methylspiro[2H-indole-3,2'-morpholine]
CID 112545926
ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]
CID 143386599
1-[(4,4-dimethyl-2H-3,1-benzoxazin-1-yl)methyl]-4,4-dimethyl-2H-3,1-benzoxazine
CID 134105591
4-(2-aminoethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907843
ethane;1,3,4,4-tetramethyl-2H-quinazoline
CID 91014765
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol (CID 82402600) is 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol is CN1CC(O)(CCN)c2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol?
The InChIKey is IVKZNHLYMGIDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-8-11(14,6-7-12)9-4-2-3-5-10(9)13/h2-5,14H,6-8,12H2,1H3.
What are the key properties of 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol?
3-(2-aminoethyl)-1-methyl-2H-indol-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-methyl-2H-indol-3-ol is sourced from PubChem (CID 82402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).