4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol

C18H20N2O4 — CID 74577184

IUPAC4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NCc2ccccn2)C2COC(O2)C1Oc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-16-15(20-10-12-6-4-5-9-19-12)14-11-22-18(24-14)17(16)23-13-7-2-1-3-8-13/h1-9,14-18,20-21H,10-11H2
InChIKeyIRKOMQCJJDZJBQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.10
Rot. Bonds5

About 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol

4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 74577184) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID74577184
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NCc2ccccn2)C2COC(O2)C1Oc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-16-15(20-10-12-6-4-5-9-19-12)14-11-22-18(24-14)17(16)23-13-7-2-1-3-8-13/h1-9,14-18,20-21H,10-11H2
InChIKeyIRKOMQCJJDZJBQ-UHFFFAOYSA-N
XLogP1.10
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol 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

4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419409
4-[2-(dimethylamino)ethyl-methylamino]-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74577312
(1S,2S,3S,4R,5R)-2-[(4-fluorophenyl)methylamino]-4-[methyl(2-pyridin-2-ylethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25317576
(1R,2S,3S,4S,5R)-2-[(4-fluorophenyl)methylamino]-4-[methyl(2-pyridin-2-ylethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 163134982
(1S,2S,3S,4R,5R)-2-(benzylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338162
2-[(3-methoxyphenyl)methylamino]-4-(4-phenylpyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 163056822
(1S,2S,3S,4R,5R)-2-[(4-methoxyphenyl)methylamino]-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314377
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide
CID 75536658
N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
CID 162801826
1-[(1R,2S,3S,4S,5R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-(4-methoxyphenyl)urea
CID 162796084
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 74577184) is 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol is OC1C(NCc2ccccn2)C2COC(O2)C1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is IRKOMQCJJDZJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-16-15(20-10-12-6-4-5-9-19-12)14-11-22-18(24-14)17(16)23-13-7-2-1-3-8-13/h1-9,14-18,20-21H,10-11H2.
What are the key properties of 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 328.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 74577184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).