2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole

C17H18FN — CID 3641396

IUPAC2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3c(F)ccc(C)c3N2)cc1
InChIInChI=1S/C17H18FN/c1-3-12-5-7-13(8-6-12)16-10-14-15(18)9-4-11(2)17(14)19-16/h4-9,16,19H,3,10H2,1-2H3
InChIKeySICNRACVDIDNTM-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole

2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3641396) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
PubChem CID3641396
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3c(F)ccc(C)c3N2)cc1
InChIInChI=1S/C17H18FN/c1-3-12-5-7-13(8-6-12)16-10-14-15(18)9-4-11(2)17(14)19-16/h4-9,16,19H,3,10H2,1-2H3
InChIKeySICNRACVDIDNTM-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3885142
6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4017058
4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3591204
2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 4203065
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3578191
4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3988974
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
2-(4-ethylphenyl)piperazine
CID 45036830
2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
CID 5240308
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
4,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4657954

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole (CID 3641396) is 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole is CCc1ccc(C2Cc3c(F)ccc(C)c3N2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is SICNRACVDIDNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-3-12-5-7-13(8-6-12)16-10-14-15(18)9-4-11(2)17(14)19-16/h4-9,16,19H,3,10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 255.34 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3641396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).