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

C19H21ClN2O — CID 11293022

IUPAC1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol
SMILESCc1[nH]c2ccccc2c1CCNCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13-16(17-7-2-3-8-18(17)22-13)9-10-21-12-19(23)14-5-4-6-15(20)11-14/h2-8,11,19,21-23H,9-10,12H2,1H3
InChIKeyXVKHFJWHQWSDMG-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.00
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol (PubChem CID 11293022) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol
PubChem CID11293022
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol
SMILESCc1[nH]c2ccccc2c1CCNCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13-16(17-7-2-3-8-18(17)22-13)9-10-21-12-19(23)14-5-4-6-15(20)11-14/h2-8,11,19,21-23H,9-10,12H2,1H3
InChIKeyXVKHFJWHQWSDMG-UHFFFAOYSA-N
XLogP4.00
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol (CID 11293022) is 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol is Cc1[nH]c2ccccc2c1CCNCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol?
The InChIKey is XVKHFJWHQWSDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-16(17-7-2-3-8-18(17)22-13)9-10-21-12-19(23)14-5-4-6-15(20)11-14/h2-8,11,19,21-23H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethylamino]ethanol has a molecular weight of 328.84 g/mol, XLogP of 4.00, 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-(2-methyl-1H-indol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 11293022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).