2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole

C17H19NS — CID 173088754

IUPAC2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
SMILESCSc1ccc(CN2c3ccccc3CC2C)cc1
InChIInChI=1S/C17H19NS/c1-13-11-15-5-3-4-6-17(15)18(13)12-14-7-9-16(19-2)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyAXAUTFLPRQZTTD-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.36
Rot. Bonds3

About 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole

2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole (PubChem CID 173088754) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
PubChem CID173088754
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
SMILESCSc1ccc(CN2c3ccccc3CC2C)cc1
InChIInChI=1S/C17H19NS/c1-13-11-15-5-3-4-6-17(15)18(13)12-14-7-9-16(19-2)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyAXAUTFLPRQZTTD-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
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
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
CID 112803274
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199924
[5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62244249
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
6-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pyridin-3-ol
CID 82974598
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole (CID 173088754) is 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole is CSc1ccc(CN2c3ccccc3CC2C)cc1.
What is the InChIKey of 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole?
The InChIKey is AXAUTFLPRQZTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-13-11-15-5-3-4-6-17(15)18(13)12-14-7-9-16(19-2)10-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole?
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole has a molecular weight of 269.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 173088754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).