3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole

C11H14FN — CID 155698547

IUPAC3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole
SMILESCCC1=C(C)NC2C=CC(F)=CC12
InChIInChI=1S/C11H14FN/c1-3-9-7(2)13-11-5-4-8(12)6-10(9)11/h4-6,10-11,13H,3H2,1-2H3
InChIKeyXCLZCYMLUXHXLZ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.68
Rot. Bonds1

About 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole

3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole (PubChem CID 155698547) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole
PubChem CID155698547
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole
SMILESCCC1=C(C)NC2C=CC(F)=CC12
InChIInChI=1S/C11H14FN/c1-3-9-7(2)13-11-5-4-8(12)6-10(9)11/h4-6,10-11,13H,3H2,1-2H3
InChIKeyXCLZCYMLUXHXLZ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole 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

5,6,7-Tetrahydroindole
CID 19835372
6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
CID 54444424
3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
CID 59950841
3-fluoro-4-[(2R)-pyrrolidin-2-yl]cyclohexa-1,5-dien-1-amine
CID 68024007
2-[(Z)-1-fluorobut-1-enyl]-3a,7a-dihydro-1H-indole
CID 68403127
8-fluoro-2,3,4,5,5a,9a-hexahydro-1H-pyrido[4,3-b]indole
CID 69754642
2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 70300942
10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
CID 70809943
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
N-(2-ethylhexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 117695513
(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
CID 118616262

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole (CID 155698547) is 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole is CCC1=C(C)NC2C=CC(F)=CC12.
What is the InChIKey of 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole?
The InChIKey is XCLZCYMLUXHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-9-7(2)13-11-5-4-8(12)6-10(9)11/h4-6,10-11,13H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole?
3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole has a molecular weight of 179.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2-methyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 155698547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).