1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol

C15H23NO4 — CID 60633751

IUPAC1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESCOc1cccc(OCC(O)CNCC2CCCO2)c1
InChIInChI=1S/C15H23NO4/c1-18-13-4-2-5-14(8-13)20-11-12(17)9-16-10-15-6-3-7-19-15/h2,4-5,8,12,15-17H,3,6-7,9-11H2,1H3
InChIKeyCWTTZEABWZTARB-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.20
Rot. Bonds8

About 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol

1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 60633751) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID60633751
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESCOc1cccc(OCC(O)CNCC2CCCO2)c1
InChIInChI=1S/C15H23NO4/c1-18-13-4-2-5-14(8-13)20-11-12(17)9-16-10-15-6-3-7-19-15/h2,4-5,8,12,15-17H,3,6-7,9-11H2,1H3
InChIKeyCWTTZEABWZTARB-UHFFFAOYSA-N
XLogP1.20
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
methyl 4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylamino]propoxy]-3-methoxybenzoate
CID 8002711
2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62582422
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78960895
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60634018
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 60633751) is 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol is COc1cccc(OCC(O)CNCC2CCCO2)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is CWTTZEABWZTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-13-4-2-5-14(8-13)20-11-12(17)9-16-10-15-6-3-7-19-15/h2,4-5,8,12,15-17H,3,6-7,9-11H2,1H3.
What are the key properties of 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol?
1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).