1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol

C18H18ClFN2O — CID 11325056

IUPAC1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol
SMILESOC(CNCCc1c[nH]c2cc(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c19-14-3-1-2-12(8-14)18(23)11-21-7-6-13-10-22-17-9-15(20)4-5-16(13)17/h1-5,8-10,18,21-23H,6-7,11H2
InChIKeySCSGVEVSUHIIEZ-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol

1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol (PubChem CID 11325056) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol
PubChem CID11325056
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol
SMILESOC(CNCCc1c[nH]c2cc(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c19-14-3-1-2-12(8-14)18(23)11-21-7-6-13-10-22-17-9-15(20)4-5-16(13)17/h1-5,8-10,18,21-23H,6-7,11H2
InChIKeySCSGVEVSUHIIEZ-UHFFFAOYSA-N
XLogP3.83
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.83
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 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol (CID 11325056) is 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol is OC(CNCCc1c[nH]c2cc(F)ccc12)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol?
The InChIKey is SCSGVEVSUHIIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-14-3-1-2-12(8-14)18(23)11-21-7-6-13-10-22-17-9-15(20)4-5-16(13)17/h1-5,8-10,18,21-23H,6-7,11H2.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol has a molecular weight of 332.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 11325056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).