1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol

C12H16N2O2 — CID 170868919

IUPAC1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol
SMILESNCCc1cn(C(O)CO)c2ccccc12
InChIInChI=1S/C12H16N2O2/c13-6-5-9-7-14(12(16)8-15)11-4-2-1-3-10(9)11/h1-4,7,12,15-16H,5-6,8,13H2
InChIKeyWMBDIWRFFJROMT-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.63
Rot. Bonds4

About 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol

1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol (PubChem CID 170868919) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol
PubChem CID170868919
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol
SMILESNCCc1cn(C(O)CO)c2ccccc12
InChIInChI=1S/C12H16N2O2/c13-6-5-9-7-14(12(16)8-15)11-4-2-1-3-10(9)11/h1-4,7,12,15-16H,5-6,8,13H2
InChIKeyWMBDIWRFFJROMT-UHFFFAOYSA-N
XLogP0.63
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
2-(1-chloroindol-3-yl)ethanamine
CID 22722065
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-(1-ethylsulfonylindol-3-yl)ethanamine
CID 82481545
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol?
The IUPAC name of 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol (CID 170868919) is 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol is NCCc1cn(C(O)CO)c2ccccc12.
What is the InChIKey of 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol?
The InChIKey is WMBDIWRFFJROMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-6-5-9-7-14(12(16)8-15)11-4-2-1-3-10(9)11/h1-4,7,12,15-16H,5-6,8,13H2.
What are the key properties of 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol?
1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol has a molecular weight of 220.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol is sourced from PubChem (CID 170868919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).