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

C14H23NO4 — CID 64913738

IUPAC4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
SMILESCOc1ccc(OCC(O)CNCCC(C)O)cc1
InChIInChI=1S/C14H23NO4/c1-11(16)7-8-15-9-12(17)10-19-14-5-3-13(18-2)4-6-14/h3-6,11-12,15-17H,7-10H2,1-2H3
InChIKeyKBZQISYZYCBEAW-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.80
Rot. Bonds9

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

4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol (PubChem CID 64913738) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
PubChem CID64913738
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
SMILESCOc1ccc(OCC(O)CNCCC(C)O)cc1
InChIInChI=1S/C14H23NO4/c1-11(16)7-8-15-9-12(17)10-19-14-5-3-13(18-2)4-6-14/h3-6,11-12,15-17H,7-10H2,1-2H3
InChIKeyKBZQISYZYCBEAW-UHFFFAOYSA-N
XLogP0.80
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
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

4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
1-[4,4-bis(4-methoxyphenyl)butylamino]-3-phenoxypropan-2-ol
CID 11604503
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol?
The IUPAC name of 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol (CID 64913738) is 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol?
The canonical SMILES for 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol is COc1ccc(OCC(O)CNCCC(C)O)cc1.
What is the InChIKey of 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol?
The InChIKey is KBZQISYZYCBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-11(16)7-8-15-9-12(17)10-19-14-5-3-13(18-2)4-6-14/h3-6,11-12,15-17H,7-10H2,1-2H3.
What are the key properties of 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol?
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol is sourced from PubChem (CID 64913738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).