2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline

C23H22N2O — CID 141394043

IUPAC2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H22N2O/c1-25(16-17-11-13-19(26-2)14-12-17)23-10-6-4-8-20(23)22-15-18-7-3-5-9-21(18)24-22/h3-15,24H,16H2,1-2H3
InChIKeyIWSBOWVCCRFVGN-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.48
Rot. Bonds5

About 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline

2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 141394043) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
PubChem CID141394043
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H22N2O/c1-25(16-17-11-13-19(26-2)14-12-17)23-10-6-4-8-20(23)22-15-18-7-3-5-9-21(18)24-22/h3-15,24H,16H2,1-2H3
InChIKeyIWSBOWVCCRFVGN-UHFFFAOYSA-N
XLogP5.48
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
3-[[(4-tert-butylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 166632914
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
2-(2-benzylphenyl)-1H-indole
CID 23325485
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
CID 115994566
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
5,6,7-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
CID 11091031
N-[(4-methoxyphenyl)methyl]-N-methyl-9H-fluoren-9-amine
CID 2517460

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline (CID 141394043) is 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline is COc1ccc(CN(C)c2ccccc2-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is IWSBOWVCCRFVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-25(16-17-11-13-19(26-2)14-12-17)23-10-6-4-8-20(23)22-15-18-7-3-5-9-21(18)24-22/h3-15,24H,16H2,1-2H3.
What are the key properties of 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline?
2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 342.44 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 141394043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).