2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol

C18H20N2O — CID 4035295

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
SMILESOC(CNCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H20N2O/c21-18(14-6-2-1-3-7-14)13-19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12,18-21H,10-11,13H2
InChIKeyYTTMUPXEJBJMBZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds6

About 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol

2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol (PubChem CID 4035295) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
PubChem CID4035295
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
SMILESOC(CNCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H20N2O/c21-18(14-6-2-1-3-7-14)13-19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12,18-21H,10-11,13H2
InChIKeyYTTMUPXEJBJMBZ-UHFFFAOYSA-N
XLogP3.03
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol (CID 4035295) is 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol is OC(CNCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol?
The InChIKey is YTTMUPXEJBJMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(14-6-2-1-3-7-14)13-19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12,18-21H,10-11,13H2.
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol?
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol has a molecular weight of 280.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 4035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).