2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol

C15H19FN2O — CID 3942578

IUPAC2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1cccn1-c1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-2-17(10-11-19)12-13-6-5-9-18(13)15-8-4-3-7-14(15)16/h3-9,19H,2,10-12H2,1H3
InChIKeyOEZPLXRGVOJSQZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.43
Rot. Bonds6

About 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol

2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol (PubChem CID 3942578) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol
PubChem CID3942578
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1cccn1-c1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-2-17(10-11-19)12-13-6-5-9-18(13)15-8-4-3-7-14(15)16/h3-9,19H,2,10-12H2,1H3
InChIKeyOEZPLXRGVOJSQZ-UHFFFAOYSA-N
XLogP2.43
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol (CID 3942578) is 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol is CCN(CCO)Cc1cccn1-c1ccccc1F.
What is the InChIKey of 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol?
The InChIKey is OEZPLXRGVOJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-17(10-11-19)12-13-6-5-9-18(13)15-8-4-3-7-14(15)16/h3-9,19H,2,10-12H2,1H3.
What are the key properties of 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol?
2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol has a molecular weight of 262.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 3942578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).