(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine

C19H20N2O2 — CID 131958474

IUPAC(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine
SMILESc1ccc2c(CN[C@H]3CCCO[C@@H]3c3ccncc3)coc2c1
InChIInChI=1S/C19H20N2O2/c1-2-6-18-16(4-1)15(13-23-18)12-21-17-5-3-11-22-19(17)14-7-9-20-10-8-14/h1-2,4,6-10,13,17,19,21H,3,5,11-12H2/t17-,19+/m0/s1
InChIKeyYRBAONFTBIFRJQ-PKOBYXMFSA-N
MW308.38 g/mol
LogP3.84
Rot. Bonds4

About (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine

(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine (PubChem CID 131958474) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine
PubChem CID131958474
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine
SMILESc1ccc2c(CN[C@H]3CCCO[C@@H]3c3ccncc3)coc2c1
InChIInChI=1S/C19H20N2O2/c1-2-6-18-16(4-1)15(13-23-18)12-21-17-5-3-11-22-19(17)14-7-9-20-10-8-14/h1-2,4,6-10,13,17,19,21H,3,5,11-12H2/t17-,19+/m0/s1
InChIKeyYRBAONFTBIFRJQ-PKOBYXMFSA-N
XLogP3.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine 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

N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine
CID 124508072
N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714828
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
[1-[(1R,2S)-2-(1-benzofuran-3-ylmethylamino)cyclohexyl]triazol-4-yl]methanol
CID 154754185
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine
CID 129490196
(2R,3R)-2-pyridin-4-yloxan-3-amine
CID 124709129
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
(3S)-1-benzyl-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]piperidin-3-amine
CID 129488964

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine?
The IUPAC name of (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine (CID 131958474) is (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine.
What is the SMILES notation for (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine?
The canonical SMILES for (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine is c1ccc2c(CN[C@H]3CCCO[C@@H]3c3ccncc3)coc2c1.
What is the InChIKey of (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine?
The InChIKey is YRBAONFTBIFRJQ-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-6-18-16(4-1)15(13-23-18)12-21-17-5-3-11-22-19(17)14-7-9-20-10-8-14/h1-2,4,6-10,13,17,19,21H,3,5,11-12H2/t17-,19+/m0/s1.
What are the key properties of (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine?
(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine has a molecular weight of 308.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine is sourced from PubChem (CID 131958474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).