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

C14H23NO4 — CID 106841822

IUPAC4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
SMILESCOc1cccc(OCC(O)CNCCCCO)c1
InChIInChI=1S/C14H23NO4/c1-18-13-5-4-6-14(9-13)19-11-12(17)10-15-7-2-3-8-16/h4-6,9,12,15-17H,2-3,7-8,10-11H2,1H3
InChIKeyLXQULKUFLCYXEB-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.80
Rot. Bonds10

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

4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol (PubChem CID 106841822) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
PubChem CID106841822
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
SMILESCOc1cccc(OCC(O)CNCCCCO)c1
InChIInChI=1S/C14H23NO4/c1-18-13-5-4-6-14(9-13)19-11-12(17)10-15-7-2-3-8-16/h4-6,9,12,15-17H,2-3,7-8,10-11H2,1H3
InChIKeyLXQULKUFLCYXEB-UHFFFAOYSA-N
XLogP0.80
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(3-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964669
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 115454816
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
CID 106159850
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
The IUPAC name of 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol (CID 106841822) is 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
The canonical SMILES for 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol is COc1cccc(OCC(O)CNCCCCO)c1.
What is the InChIKey of 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
The InChIKey is LXQULKUFLCYXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-13-5-4-6-14(9-13)19-11-12(17)10-15-7-2-3-8-16/h4-6,9,12,15-17H,2-3,7-8,10-11H2,1H3.
What are the key properties of 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 0.80, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol is sourced from PubChem (CID 106841822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).