1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol

C15H23NO4 — CID 63364012

IUPAC1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCCOC1
InChIInChI=1S/C15H23NO4/c1-18-14-6-2-3-7-15(14)20-11-13(17)9-16-12-5-4-8-19-10-12/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3
InChIKeyVFZWMCVVZRDISK-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.20
Rot. Bonds7

About 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol

1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol (PubChem CID 63364012) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
PubChem CID63364012
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCCOC1
InChIInChI=1S/C15H23NO4/c1-18-14-6-2-3-7-15(14)20-11-13(17)9-16-12-5-4-8-19-10-12/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3
InChIKeyVFZWMCVVZRDISK-UHFFFAOYSA-N
XLogP1.20
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile
CID 63363298
1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
CID 63363760
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol (CID 63364012) is 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol is COc1ccccc1OCC(O)CNC1CCCOC1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
The InChIKey is VFZWMCVVZRDISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-14-6-2-3-7-15(14)20-11-13(17)9-16-12-5-4-8-19-10-12/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol is sourced from PubChem (CID 63364012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).