2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol

C24H26N2O — CID 135146919

IUPAC2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1N1Cc2ccc(CNCCO)cc2C1
InChIInChI=1S/C24H26N2O/c1-18-23(20-6-3-2-4-7-20)8-5-9-24(18)26-16-21-11-10-19(14-22(21)17-26)15-25-12-13-27/h2-11,14,25,27H,12-13,15-17H2,1H3
InChIKeyOTJBLONBSJPXIA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.26
Rot. Bonds6

About 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol

2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol (PubChem CID 135146919) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol
PubChem CID135146919
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1N1Cc2ccc(CNCCO)cc2C1
InChIInChI=1S/C24H26N2O/c1-18-23(20-6-3-2-4-7-20)8-5-9-24(18)26-16-21-11-10-19(14-22(21)17-26)15-25-12-13-27/h2-11,14,25,27H,12-13,15-17H2,1H3
InChIKeyOTJBLONBSJPXIA-UHFFFAOYSA-N
XLogP4.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]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 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol (CID 135146919) is 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1N1Cc2ccc(CNCCO)cc2C1.
What is the InChIKey of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol?
The InChIKey is OTJBLONBSJPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-18-23(20-6-3-2-4-7-20)8-5-9-24(18)26-16-21-11-10-19(14-22(21)17-26)15-25-12-13-27/h2-11,14,25,27H,12-13,15-17H2,1H3.
What are the key properties of 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol?
2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol has a molecular weight of 358.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol is sourced from PubChem (CID 135146919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).