6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine

C21H25FN2 — CID 168915291

IUPAC6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine
SMILESCCc1ccc2c(c1)NCC2.Fc1ccc(C2C=CNCC2)cc1
InChIInChI=1S/C11H12FN.C10H13N/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-2-8-3-4-9-5-6-11-10(9)7-8/h1-5,7,10,13H,6,8H2;3-4,7,11H,2,5-6H2,1H3
InChIKeyUTLRUPSMBDTKHM-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.63
Rot. Bonds2

About 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine

6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine (PubChem CID 168915291) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine
PubChem CID168915291
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine
SMILESCCc1ccc2c(c1)NCC2.Fc1ccc(C2C=CNCC2)cc1
InChIInChI=1S/C11H12FN.C10H13N/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-2-8-3-4-9-5-6-11-10(9)7-8/h1-5,7,10,13H,6,8H2;3-4,7,11H,2,5-6H2,1H3
InChIKeyUTLRUPSMBDTKHM-UHFFFAOYSA-N
XLogP4.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole
CID 116698483
N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-6-ylmethyl)ethanamine
CID 107399402
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
N-(2,3-dihydro-1H-indol-6-ylmethyl)-N,2,2-trimethylpropan-1-amine
CID 113382557
N-(2,3-dihydro-1H-indol-6-ylmethyl)hexan-2-amine
CID 113382561
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 70866710
N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913648
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
CID 84678421
1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421360

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine (CID 168915291) is 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine is CCc1ccc2c(c1)NCC2.Fc1ccc(C2C=CNCC2)cc1.
What is the InChIKey of 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is UTLRUPSMBDTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN.C10H13N/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-2-8-3-4-9-5-6-11-10(9)7-8/h1-5,7,10,13H,6,8H2;3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine?
6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 324.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 168915291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).