2-(5-aminoindol-1-yl)ethanol

C10H12N2O — CID 43165354

IUPAC2-(5-aminoindol-1-yl)ethanol
SMILESNc1ccc2c(ccn2CCO)c1
InChIInChI=1S/C10H12N2O/c11-9-1-2-10-8(7-9)3-4-12(10)5-6-13/h1-4,7,13H,5-6,11H2
InChIKeyPBXBPYUFLVXOHY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.22
Rot. Bonds2

About 2-(5-aminoindol-1-yl)ethanol

2-(5-aminoindol-1-yl)ethanol (PubChem CID 43165354) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(5-aminoindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-aminoindol-1-yl)ethanol
PubChem CID43165354
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(5-aminoindol-1-yl)ethanol
SMILESNc1ccc2c(ccn2CCO)c1
InChIInChI=1S/C10H12N2O/c11-9-1-2-10-8(7-9)3-4-12(10)5-6-13/h1-4,7,13H,5-6,11H2
InChIKeyPBXBPYUFLVXOHY-UHFFFAOYSA-N
XLogP1.22
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylbutyl)indol-5-amine
CID 114333583
1-(3-methoxy-3-methylbutyl)indol-5-amine
CID 103033678
1-(2-phenylsulfanylethyl)indol-5-amine
CID 79222647
2-(5,6-dimethylindol-1-yl)ethanol
CID 83944319
1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
CID 103002337
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123
2-(5-pyrimidin-2-ylindol-1-yl)ethanol
CID 137376283
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
2-(6-chloro-5-methylindol-1-yl)ethanol
CID 83944384
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindol-1-yl)ethanol?
The IUPAC name of 2-(5-aminoindol-1-yl)ethanol (CID 43165354) is 2-(5-aminoindol-1-yl)ethanol.
What is the SMILES notation for 2-(5-aminoindol-1-yl)ethanol?
The canonical SMILES for 2-(5-aminoindol-1-yl)ethanol is Nc1ccc2c(ccn2CCO)c1.
What is the InChIKey of 2-(5-aminoindol-1-yl)ethanol?
The InChIKey is PBXBPYUFLVXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-9-1-2-10-8(7-9)3-4-12(10)5-6-13/h1-4,7,13H,5-6,11H2.
What are the key properties of 2-(5-aminoindol-1-yl)ethanol?
2-(5-aminoindol-1-yl)ethanol has a molecular weight of 176.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindol-1-yl)ethanol is sourced from PubChem (CID 43165354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).