1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol

C12H16N2O2 — CID 71982545

IUPAC1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
SMILESCn1cccc1CNCC(O)c1ccco1
InChIInChI=1S/C12H16N2O2/c1-14-6-2-4-10(14)8-13-9-11(15)12-5-3-7-16-12/h2-7,11,13,15H,8-9H2,1H3
InChIKeyGLFIBYRNVALXLN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.44
Rot. Bonds5

About 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol

1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol (PubChem CID 71982545) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
PubChem CID71982545
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
SMILESCn1cccc1CNCC(O)c1ccco1
InChIInChI=1S/C12H16N2O2/c1-14-6-2-4-10(14)8-13-9-11(15)12-5-3-7-16-12/h2-7,11,13,15H,8-9H2,1H3
InChIKeyGLFIBYRNVALXLN-UHFFFAOYSA-N
XLogP1.44
TPSA50.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403202
(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403604
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 111969344
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757469
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
CID 86984352
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol (CID 71982545) is 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol is Cn1cccc1CNCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol?
The InChIKey is GLFIBYRNVALXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-6-2-4-10(14)8-13-9-11(15)12-5-3-7-16-12/h2-7,11,13,15H,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol?
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol has a molecular weight of 220.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol is sourced from PubChem (CID 71982545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).