2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol

C19H20N2O2 — CID 71922947

IUPAC2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
SMILESOC(CN(Cc1ccccc1)Cc1cccnc1)c1ccco1
InChIInChI=1S/C19H20N2O2/c22-18(19-9-5-11-23-19)15-21(13-16-6-2-1-3-7-16)14-17-8-4-10-20-12-17/h1-12,18,22H,13-15H2
InChIKeyATJKEZSVKGLXRP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.41
Rot. Bonds7

About 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol

2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol (PubChem CID 71922947) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
PubChem CID71922947
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
SMILESOC(CN(Cc1ccccc1)Cc1cccnc1)c1ccco1
InChIInChI=1S/C19H20N2O2/c22-18(19-9-5-11-23-19)15-21(13-16-6-2-1-3-7-16)14-17-8-4-10-20-12-17/h1-12,18,22H,13-15H2
InChIKeyATJKEZSVKGLXRP-UHFFFAOYSA-N
XLogP3.41
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 97082119
(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128
3-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoic acid
CID 119152156
(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol
CID 97005148
(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol
CID 100668034
2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(furan-2-yl)ethanol
CID 75377692
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 51495619
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol (CID 71922947) is 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol is OC(CN(Cc1ccccc1)Cc1cccnc1)c1ccco1.
What is the InChIKey of 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol?
The InChIKey is ATJKEZSVKGLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(19-9-5-11-23-19)15-21(13-16-6-2-1-3-7-16)14-17-8-4-10-20-12-17/h1-12,18,22H,13-15H2.
What are the key properties of 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol?
2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol has a molecular weight of 308.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 71922947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).