(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine

C22H24N2O2 — CID 126802991

IUPAC(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine
SMILESCCc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-16-5-7-17(8-6-16)21-10-9-19(26-21)15-24-20-11-13-25-22(20)18-4-3-12-23-14-18/h3-10,12,14,20,22,24H,2,11,13,15H2,1H3/t20-,22+/m0/s1
InChIKeyZGOJYRHIZBHZFW-RBBKRZOGSA-N
MW348.45 g/mol
LogP4.52
Rot. Bonds6

About (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine

(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine (PubChem CID 126802991) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine
PubChem CID126802991
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine
SMILESCCc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-16-5-7-17(8-6-16)21-10-9-19(26-21)15-24-20-11-13-25-22(20)18-4-3-12-23-14-18/h3-10,12,14,20,22,24H,2,11,13,15H2,1H3/t20-,22+/m0/s1
InChIKeyZGOJYRHIZBHZFW-RBBKRZOGSA-N
XLogP4.52
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine?
The IUPAC name of (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine (CID 126802991) is (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine is CCc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)cc1.
What is the InChIKey of (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine?
The InChIKey is ZGOJYRHIZBHZFW-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-16-5-7-17(8-6-16)21-10-9-19(26-21)15-24-20-11-13-25-22(20)18-4-3-12-23-14-18/h3-10,12,14,20,22,24H,2,11,13,15H2,1H3/t20-,22+/m0/s1.
What are the key properties of (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine?
(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine has a molecular weight of 348.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine is sourced from PubChem (CID 126802991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).