1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole

C23H29FN2O — CID 22038156

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)N(C1CCCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H29FN2O/c1-27-22-9-6-19-11-16-26(23(19)17-22)21-3-2-13-25(15-12-21)14-10-18-4-7-20(24)8-5-18/h4-9,17,21H,2-3,10-16H2,1H3
InChIKeyUTNSTJDTNRKQNZ-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.29
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole

1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole (PubChem CID 22038156) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
PubChem CID22038156
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)N(C1CCCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H29FN2O/c1-27-22-9-6-19-11-16-26(23(19)17-22)21-3-2-13-25(15-12-21)14-10-18-4-7-20(24)8-5-18/h4-9,17,21H,2-3,10-16H2,1H3
InChIKeyUTNSTJDTNRKQNZ-UHFFFAOYSA-N
XLogP4.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-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

1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
CID 22038151
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methylsulfanylperoxy]methanamine
CID 23377505
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole
CID 22038366
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
CID 22038027
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038365
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol
CID 22037901

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole (CID 22038156) is 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole is COc1ccc2c(c1)N(C1CCCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole?
The InChIKey is UTNSTJDTNRKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-27-22-9-6-19-11-16-26(23(19)17-22)21-3-2-13-25(15-12-21)14-10-18-4-7-20(24)8-5-18/h4-9,17,21H,2-3,10-16H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole?
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole has a molecular weight of 368.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole is sourced from PubChem (CID 22038156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).