3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol

C15H23NO3 — CID 103904882

IUPAC3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
SMILESCOc1ccc(CC(C)NCC2(O)CCOC2)cc1
InChIInChI=1S/C15H23NO3/c1-12(16-10-15(17)7-8-19-11-15)9-13-3-5-14(18-2)6-4-13/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyOFIBXFGUDJWZFM-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.37
Rot. Bonds6

About 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol

3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol (PubChem CID 103904882) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
PubChem CID103904882
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
SMILESCOc1ccc(CC(C)NCC2(O)CCOC2)cc1
InChIInChI=1S/C15H23NO3/c1-12(16-10-15(17)7-8-19-11-15)9-13-3-5-14(18-2)6-4-13/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyOFIBXFGUDJWZFM-UHFFFAOYSA-N
XLogP1.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
CID 103904775
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
CID 113349154
4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 103903361
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
CID 103904846
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol (CID 103904882) is 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol is COc1ccc(CC(C)NCC2(O)CCOC2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
The InChIKey is OFIBXFGUDJWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(16-10-15(17)7-8-19-11-15)9-13-3-5-14(18-2)6-4-13/h3-6,12,16-17H,7-11H2,1-2H3.
What are the key properties of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol has a molecular weight of 265.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).