2-amino-1-(1H-indol-4-yl)ethanol

C10H12N2O — CID 13186941

IUPAC2-amino-1-(1H-indol-4-yl)ethanol
SMILESNCC(O)c1cccc2[nH]ccc12
InChIInChI=1S/C10H12N2O/c11-6-10(13)8-2-1-3-9-7(8)4-5-12-9/h1-5,10,12-13H,6,11H2
InChIKeyCKDWQSDPEJYSAH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.16
Rot. Bonds2

About 2-amino-1-(1H-indol-4-yl)ethanol

2-amino-1-(1H-indol-4-yl)ethanol (PubChem CID 13186941) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-1-(1H-indol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1H-indol-4-yl)ethanol
PubChem CID13186941
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-1-(1H-indol-4-yl)ethanol
SMILESNCC(O)c1cccc2[nH]ccc12
InChIInChI=1S/C10H12N2O/c11-6-10(13)8-2-1-3-9-7(8)4-5-12-9/h1-5,10,12-13H,6,11H2
InChIKeyCKDWQSDPEJYSAH-UHFFFAOYSA-N
XLogP1.16
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
CID 171899347
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1H-indol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(1H-indol-4-yl)ethanol (CID 13186941) is 2-amino-1-(1H-indol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1H-indol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(1H-indol-4-yl)ethanol is NCC(O)c1cccc2[nH]ccc12.
What is the InChIKey of 2-amino-1-(1H-indol-4-yl)ethanol?
The InChIKey is CKDWQSDPEJYSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-10(13)8-2-1-3-9-7(8)4-5-12-9/h1-5,10,12-13H,6,11H2.
What are the key properties of 2-amino-1-(1H-indol-4-yl)ethanol?
2-amino-1-(1H-indol-4-yl)ethanol has a molecular weight of 176.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-indol-4-yl)ethanol is sourced from PubChem (CID 13186941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).