1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol

C19H21ClN2O — CID 11186506

IUPAC1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol
SMILESCn1cc(CCNCC(O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H21ClN2O/c1-22-13-15(17-7-2-3-8-18(17)22)9-10-21-12-19(23)14-5-4-6-16(20)11-14/h2-8,11,13,19,21,23H,9-10,12H2,1H3
InChIKeyGQCXJMXCLONEKK-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.70
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol

1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol (PubChem CID 11186506) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol
PubChem CID11186506
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol
SMILESCn1cc(CCNCC(O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H21ClN2O/c1-22-13-15(17-7-2-3-8-18(17)22)9-10-21-12-19(23)14-5-4-6-16(20)11-14/h2-8,11,13,19,21,23H,9-10,12H2,1H3
InChIKeyGQCXJMXCLONEKK-UHFFFAOYSA-N
XLogP3.70
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-methylindol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol (CID 11186506) is 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol is Cn1cc(CCNCC(O)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol?
The InChIKey is GQCXJMXCLONEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22-13-15(17-7-2-3-8-18(17)22)9-10-21-12-19(23)14-5-4-6-16(20)11-14/h2-8,11,13,19,21,23H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol has a molecular weight of 328.84 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(1-methylindol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 11186506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).