2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole

C22H21N — CID 70112663

IUPAC2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21N/c1-17-15-19-11-6-8-14-22(19)23(17)16-20-12-5-7-13-21(20)18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3
InChIKeyACSDQKCVIUTBHZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.30
Rot. Bonds3

About 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole

2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole (PubChem CID 70112663) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
PubChem CID70112663
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21N/c1-17-15-19-11-6-8-14-22(19)23(17)16-20-12-5-7-13-21(20)18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3
InChIKeyACSDQKCVIUTBHZ-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 24695357
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906
[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905554
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 43185472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole (CID 70112663) is 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole is CC1Cc2ccccc2N1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole?
The InChIKey is ACSDQKCVIUTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-17-15-19-11-6-8-14-22(19)23(17)16-20-12-5-7-13-21(20)18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3.
What are the key properties of 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole?
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole has a molecular weight of 299.42 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 70112663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).