3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene

C25H34FNO — CID 143951013

IUPAC3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene
SMILESCCC1CNCC1CC.Cc1cc(F)ccc1OC1c2ccccc2C[C@H]1C
InChIInChI=1S/C17H17FO.C8H17N/c1-11-10-14(18)7-8-16(11)19-17-12(2)9-13-5-3-4-6-15(13)17;1-3-7-5-9-6-8(7)4-2/h3-8,10,12,17H,9H2,1-2H3;7-9H,3-6H2,1-2H3/t12-,17?;/m1./s1
InChIKeyAODKWJZUNXLZFZ-YVBLHMOHSA-N
MW383.55 g/mol
LogP6.09
Rot. Bonds4

About 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene

3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene (PubChem CID 143951013) has the molecular formula C25H34FNO and a molecular weight of 383.55 g/mol. Its IUPAC name is 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene
PubChem CID143951013
Molecular FormulaC25H34FNO
Molecular Weight383.55 g/mol
Exact Mass383.26
IUPAC Name3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene
SMILESCCC1CNCC1CC.Cc1cc(F)ccc1OC1c2ccccc2C[C@H]1C
InChIInChI=1S/C17H17FO.C8H17N/c1-11-10-14(18)7-8-16(11)19-17-12(2)9-13-5-3-4-6-15(13)17;1-3-7-5-9-6-8(7)4-2/h3-8,10,12,17H,9H2,1-2H3;7-9H,3-6H2,1-2H3/t12-,17?;/m1./s1
InChIKeyAODKWJZUNXLZFZ-YVBLHMOHSA-N
XLogP6.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-[(1R,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58393920
(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 67398110
ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 143367533
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine
CID 143950943
3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143950505
(3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 163672179
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
2-[[(1S,2R)-2-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-6-fluorobenzonitrile
CID 143950834
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene (CID 143951013) is 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene is CCC1CNCC1CC.Cc1cc(F)ccc1OC1c2ccccc2C[C@H]1C.
What is the InChIKey of 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is AODKWJZUNXLZFZ-YVBLHMOHSA-N. The full InChI is InChI=1S/C17H17FO.C8H17N/c1-11-10-14(18)7-8-16(11)19-17-12(2)9-13-5-3-4-6-15(13)17;1-3-7-5-9-6-8(7)4-2/h3-8,10,12,17H,9H2,1-2H3;7-9H,3-6H2,1-2H3/t12-,17?;/m1./s1.
What are the key properties of 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene?
3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 383.55 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 143951013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).