(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol

C19H20N2O2 — CID 97082119

IUPAC(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
SMILESO[C@H](CN(Cc1ccccc1)Cc1ccncc1)c1ccco1
InChIInChI=1S/C19H20N2O2/c22-18(19-7-4-12-23-19)15-21(13-16-5-2-1-3-6-16)14-17-8-10-20-11-9-17/h1-12,18,22H,13-15H2/t18-/m1/s1
InChIKeyDWYRHEKFLSTLGK-GOSISDBHSA-N
MW308.38 g/mol
LogP3.41
Rot. Bonds7

About (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol

(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol (PubChem CID 97082119) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
PubChem CID97082119
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
SMILESO[C@H](CN(Cc1ccccc1)Cc1ccncc1)c1ccco1
InChIInChI=1S/C19H20N2O2/c22-18(19-7-4-12-23-19)15-21(13-16-5-2-1-3-6-16)14-17-8-10-20-11-9-17/h1-12,18,22H,13-15H2/t18-/m1/s1
InChIKeyDWYRHEKFLSTLGK-GOSISDBHSA-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

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Related Compounds

2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 71922947
(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(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(furan-2-yl)ethanol
CID 75377692
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
CID 97249673

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol (CID 97082119) is (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol is O[C@H](CN(Cc1ccccc1)Cc1ccncc1)c1ccco1.
What is the InChIKey of (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol?
The InChIKey is DWYRHEKFLSTLGK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(19-7-4-12-23-19)15-21(13-16-5-2-1-3-6-16)14-17-8-10-20-11-9-17/h1-12,18,22H,13-15H2/t18-/m1/s1.
What are the key properties of (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol?
(1R)-2-[benzyl(pyridin-4-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 (1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97082119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).