2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol

C19H20FN3O — CID 46981781

IUPAC2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c20-17-5-7-18(8-6-17)23-10-2-4-19(23)15-22(11-12-24)14-16-3-1-9-21-13-16/h1-10,13,24H,11-12,14-15H2
InChIKeyWAQMBLXZLPLFDJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.01
Rot. Bonds7

About 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol

2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 46981781) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
PubChem CID46981781
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c20-17-5-7-18(8-6-17)23-10-2-4-19(23)15-22(11-12-24)14-16-3-1-9-21-13-16/h1-10,13,24H,11-12,14-15H2
InChIKeyWAQMBLXZLPLFDJ-UHFFFAOYSA-N
XLogP3.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrol-1-yl]benzonitrile
CID 3429748
N-benzyl-2-phenyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 3385173
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953713
N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 46954094
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 4277529
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
5-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46953737
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961442
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
CID 46962079

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol (CID 46981781) is 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol is OCCN(Cc1cccnc1)Cc1cccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is WAQMBLXZLPLFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-17-5-7-18(8-6-17)23-10-2-4-19(23)15-22(11-12-24)14-16-3-1-9-21-13-16/h1-10,13,24H,11-12,14-15H2.
What are the key properties of 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 325.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 46981781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).