1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride

C32H33ClN2O — CID 45489305

IUPAC1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CNCCc1ccccc1.Cl
InChIInChI=1S/C32H32N2O.ClH/c1-24-17-18-30-29(21-24)31(26-13-7-3-8-14-26)32(27-15-9-4-10-16-27)34(30)23-28(35)22-33-20-19-25-11-5-2-6-12-25;/h2-18,21,28,33,35H,19-20,22-23H2,1H3;1H
InChIKeyZXRDCZXTVFSUGJ-UHFFFAOYSA-N
MW497.08 g/mol
LogP6.90
Rot. Bonds9

About 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride

1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride (PubChem CID 45489305) has the molecular formula C32H33ClN2O and a molecular weight of 497.08 g/mol. Its IUPAC name is 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride
PubChem CID45489305
Molecular FormulaC32H33ClN2O
Molecular Weight497.08 g/mol
Exact Mass496.23
IUPAC Name1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CNCCc1ccccc1.Cl
InChIInChI=1S/C32H32N2O.ClH/c1-24-17-18-30-29(21-24)31(26-13-7-3-8-14-26)32(27-15-9-4-10-16-27)34(30)23-28(35)22-33-20-19-25-11-5-2-6-12-25;/h2-18,21,28,33,35H,19-20,22-23H2,1H3;1H
InChIKeyZXRDCZXTVFSUGJ-UHFFFAOYSA-N
XLogP6.90
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.08
LogP ≤ 56.90
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-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride (CID 45489305) is 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CNCCc1ccccc1.Cl.
What is the InChIKey of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride?
The InChIKey is ZXRDCZXTVFSUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O.ClH/c1-24-17-18-30-29(21-24)31(26-13-7-3-8-14-26)32(27-15-9-4-10-16-27)34(30)23-28(35)22-33-20-19-25-11-5-2-6-12-25;/h2-18,21,28,33,35H,19-20,22-23H2,1H3;1H.
What are the key properties of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride?
1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride has a molecular weight of 497.08 g/mol, XLogP of 6.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 45489305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).