1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol

C15H22ClNO4 — CID 104760727

IUPAC1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
SMILESCOC1(CNCC(O)COc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C15H22ClNO4/c1-19-15(5-6-20-11-15)10-17-8-13(18)9-21-14-4-2-3-12(16)7-14/h2-4,7,13,17-18H,5-6,8-11H2,1H3
InChIKeyGPCUJODMBNRHPP-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.47
Rot. Bonds8

About 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol

1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol (PubChem CID 104760727) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
PubChem CID104760727
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
SMILESCOC1(CNCC(O)COc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C15H22ClNO4/c1-19-15(5-6-20-11-15)10-17-8-13(18)9-21-14-4-2-3-12(16)7-14/h2-4,7,13,17-18H,5-6,8-11H2,1H3
InChIKeyGPCUJODMBNRHPP-UHFFFAOYSA-N
XLogP1.47
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756333
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 115454816

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol (CID 104760727) is 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol is COC1(CNCC(O)COc2cccc(Cl)c2)CCOC1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The InChIKey is GPCUJODMBNRHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4/c1-19-15(5-6-20-11-15)10-17-8-13(18)9-21-14-4-2-3-12(16)7-14/h2-4,7,13,17-18H,5-6,8-11H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol has a molecular weight of 315.80 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 104760727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).