(3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol

C15H19FN2O — CID 131950875

IUPAC(3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol
SMILESCCn1ccc2ccc(CN3C[C@@H](O)[C@H](F)C3)cc21
InChIInChI=1S/C15H19FN2O/c1-2-18-6-5-12-4-3-11(7-14(12)18)8-17-9-13(16)15(19)10-17/h3-7,13,15,19H,2,8-10H2,1H3/t13-,15-/m1/s1
InChIKeyQNKVXEQSCJHANZ-UKRRQHHQSA-N
MW262.33 g/mol
LogP2.18
Rot. Bonds3

About (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol

(3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol (PubChem CID 131950875) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol
PubChem CID131950875
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol
SMILESCCn1ccc2ccc(CN3C[C@@H](O)[C@H](F)C3)cc21
InChIInChI=1S/C15H19FN2O/c1-2-18-6-5-12-4-3-11(7-14(12)18)8-17-9-13(16)15(19)10-17/h3-7,13,15,19H,2,8-10H2,1H3/t13-,15-/m1/s1
InChIKeyQNKVXEQSCJHANZ-UKRRQHHQSA-N
XLogP2.18
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 16188855
2-{1-methyl-4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-2-yl}ethanol
CID 23723472
(1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-p-tolylpropan-2-ol
CID 45483119
(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol
CID 134578456
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-ethyl-
CID 21217
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-methyl-
CID 39131
1H-Indole-1-ethanol
CID 13734996
1-(2-Hydroxy-ethylamino)-3-indol-1-yl-propan-2-ol
CID 644945
1-(azepan-1-yl)-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 2896285
2-{4-[(1-isopropyl-1H-indol-3-yl)methyl]-1-methylpiperazin-2-yl}ethanol
CID 23723244
6-Methyl-1-(3-methylbutyl)indole
CID 44359525
N,N-dimethyl-2-(pyrrolo[1,2-a]indol-4-ylideneamino)oxyethanamine
CID 44360648

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol (CID 131950875) is (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol is CCn1ccc2ccc(CN3C[C@@H](O)[C@H](F)C3)cc21.
What is the InChIKey of (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol?
The InChIKey is QNKVXEQSCJHANZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-18-6-5-12-4-3-11(7-14(12)18)8-17-9-13(16)15(19)10-17/h3-7,13,15,19H,2,8-10H2,1H3/t13-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol has a molecular weight of 262.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(1-ethylindol-6-yl)methyl]-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 131950875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).