2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol

C18H20N2O — CID 166232649

IUPAC2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc2[nH]ccc2c1)c1ccccc1O
InChIInChI=1S/C18H20N2O/c1-13(16-4-2-3-5-18(16)21)19-10-8-14-6-7-17-15(12-14)9-11-20-17/h2-7,9,11-13,19-21H,8,10H2,1H3
InChIKeyDORJZTUYJLJSIA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.77
Rot. Bonds5

About 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol

2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol (PubChem CID 166232649) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol
PubChem CID166232649
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc2[nH]ccc2c1)c1ccccc1O
InChIInChI=1S/C18H20N2O/c1-13(16-4-2-3-5-18(16)21)19-10-8-14-6-7-17-15(12-14)9-11-20-17/h2-7,9,11-13,19-21H,8,10H2,1H3
InChIKeyDORJZTUYJLJSIA-UHFFFAOYSA-N
XLogP3.77
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
N-[2-(1H-indol-5-yl)ethyl]-1-(2-methyloxolan-2-yl)ethanamine
CID 119052551
5-(4-methylpentyl)-1H-indole
CID 143660626
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
3-[2-(1H-indol-5-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122013332
1-(1H-indol-5-ylmethyl)-3-(2-phenylethyl)thiourea
CID 59088051
1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909354
3-[3-(1H-indol-5-yl)propanoylamino]butanoic acid
CID 120522675
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102910480

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol (CID 166232649) is 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol is CC(NCCc1ccc2[nH]ccc2c1)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol?
The InChIKey is DORJZTUYJLJSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(16-4-2-3-5-18(16)21)19-10-8-14-6-7-17-15(12-14)9-11-20-17/h2-7,9,11-13,19-21H,8,10H2,1H3.
What are the key properties of 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol?
2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol has a molecular weight of 280.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 166232649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).