3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol

C15H25NO5 — CID 106159850

IUPAC3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC(O)COc1cccc(OC)c1
InChIInChI=1S/C15H25NO5/c1-19-10-12(6-7-17)16-9-13(18)11-21-15-5-3-4-14(8-15)20-2/h3-5,8,12-13,16-18H,6-7,9-11H2,1-2H3
InChIKeyVFSAYNICQZNLSQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.42
Rot. Bonds11

About 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol

3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol (PubChem CID 106159850) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
PubChem CID106159850
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC(O)COc1cccc(OC)c1
InChIInChI=1S/C15H25NO5/c1-19-10-12(6-7-17)16-9-13(18)11-21-15-5-3-4-14(8-15)20-2/h3-5,8,12-13,16-18H,6-7,9-11H2,1-2H3
InChIKeyVFSAYNICQZNLSQ-UHFFFAOYSA-N
XLogP0.42
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-4-methoxybutan-1-ol
CID 106159851
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
CID 70552130
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol (CID 106159850) is 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol is COCC(CCO)NCC(O)COc1cccc(OC)c1.
What is the InChIKey of 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol?
The InChIKey is VFSAYNICQZNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-19-10-12(6-7-17)16-9-13(18)11-21-15-5-3-4-14(8-15)20-2/h3-5,8,12-13,16-18H,6-7,9-11H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol?
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol has a molecular weight of 299.37 g/mol, XLogP of 0.42, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106159850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).