2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol

C18H18N2O2 — CID 111478435

IUPAC2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
SMILESOCC(NCc1cccc(-c2ccncc2)c1)c1ccco1
InChIInChI=1S/C18H18N2O2/c21-13-17(18-5-2-10-22-18)20-12-14-3-1-4-16(11-14)15-6-8-19-9-7-15/h1-11,17,20-21H,12-13H2
InChIKeyLOAAWJWPHQPNQR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.16
Rot. Bonds6

About 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol

2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol (PubChem CID 111478435) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
PubChem CID111478435
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
SMILESOCC(NCc1cccc(-c2ccncc2)c1)c1ccco1
InChIInChI=1S/C18H18N2O2/c21-13-17(18-5-2-10-22-18)20-12-14-3-1-4-16(11-14)15-6-8-19-9-7-15/h1-11,17,20-21H,12-13H2
InChIKeyLOAAWJWPHQPNQR-UHFFFAOYSA-N
XLogP3.16
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 99850577
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
5-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-2-methoxybenzonitrile
CID 111470533
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111916789
2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol
CID 111470598
4-bromo-2-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]phenol
CID 111470423
2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
CID 111470467
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
CID 97249673
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol?
The IUPAC name of 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol (CID 111478435) is 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol.
What is the SMILES notation for 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol?
The canonical SMILES for 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol is OCC(NCc1cccc(-c2ccncc2)c1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol?
The InChIKey is LOAAWJWPHQPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-13-17(18-5-2-10-22-18)20-12-14-3-1-4-16(11-14)15-6-8-19-9-7-15/h1-11,17,20-21H,12-13H2.
What are the key properties of 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol?
2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol has a molecular weight of 294.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol is sourced from PubChem (CID 111478435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).