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

C16H16FN — CID 22199928

IUPAC1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeyNVJIENZODJTINW-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.78
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole (PubChem CID 22199928) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
PubChem CID22199928
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeyNVJIENZODJTINW-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
CID 112803274
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199924
2-(4-fluorophenyl)-4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,3-oxazole
CID 31673406
2-(4-fluorophenyl)-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-oxazole
CID 42943788
N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 42891438
[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
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole (CID 22199928) is 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is NVJIENZODJTINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 241.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 22199928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).