1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol

C25H26N2O — CID 23325510

IUPAC1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1c(-c2ccccc2Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H26N2O/c1-27(2)17-23(28)24-21-14-8-9-15-22(21)26-25(24)20-13-7-6-12-19(20)16-18-10-4-3-5-11-18/h3-15,23,26,28H,16-17H2,1-2H3
InChIKeyQGERUHFGQFVHNA-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.02
Rot. Bonds6

About 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol

1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol (PubChem CID 23325510) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol
PubChem CID23325510
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1c(-c2ccccc2Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H26N2O/c1-27(2)17-23(28)24-21-14-8-9-15-22(21)26-25(24)20-13-7-6-12-19(20)16-18-10-4-3-5-11-18/h3-15,23,26,28H,16-17H2,1-2H3
InChIKeyQGERUHFGQFVHNA-UHFFFAOYSA-N
XLogP5.02
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-benzylphenyl)-4-methyl-9H-carbazole
CID 145017147
(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-(2-benzylphenyl)-1H-indole
CID 23325485
1-(2-benzylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175115962
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
9H-carbazole;propane-1,1-diol
CID 19846299
3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole
CID 90182834
1,2,3,4,5-pentabenzyl-6-(2-benzylphenyl)benzene
CID 170735831
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
4-benzyl-1H-indol-2-amine
CID 174370998
N-ethyl-N-[[2-(3-propan-2-yl-1H-indol-2-yl)-5-propylphenyl]methyl]ethanamine
CID 151559894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol?
The IUPAC name of 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol (CID 23325510) is 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol.
What is the SMILES notation for 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol?
The canonical SMILES for 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol is CN(C)CC(O)c1c(-c2ccccc2Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol?
The InChIKey is QGERUHFGQFVHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-27(2)17-23(28)24-21-14-8-9-15-22(21)26-25(24)20-13-7-6-12-19(20)16-18-10-4-3-5-11-18/h3-15,23,26,28H,16-17H2,1-2H3.
What are the key properties of 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol?
1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol has a molecular weight of 370.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzylphenyl)-1H-indol-3-yl]-2-(dimethylamino)ethanol is sourced from PubChem (CID 23325510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).