4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol

C15H25NO3 — CID 107710142

IUPAC4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOc1ccc(CCO)cc1
InChIInChI=1S/C15H25NO3/c1-2-9-16-14(12-18)8-11-19-15-5-3-13(4-6-15)7-10-17/h3-6,14,16-18H,2,7-12H2,1H3
InChIKeyFEEQUTSSVMGUQI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.35
Rot. Bonds10

About 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol

4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol (PubChem CID 107710142) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
PubChem CID107710142
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOc1ccc(CCO)cc1
InChIInChI=1S/C15H25NO3/c1-2-9-16-14(12-18)8-11-19-15-5-3-13(4-6-15)7-10-17/h3-6,14,16-18H,2,7-12H2,1H3
InChIKeyFEEQUTSSVMGUQI-UHFFFAOYSA-N
XLogP1.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylsulfonylphenoxy)-2-(propylamino)butan-1-ol
CID 64807111
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
4-(4-butylphenoxy)-2-(propylamino)butanoic acid
CID 115493138
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
1-methoxy-3-[4-(2-methoxyethyl)phenoxy]-N-propylpropan-2-amine
CID 107506757
1-phenoxy-N-propylnonan-3-amine
CID 63414499
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63033159
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol (CID 107710142) is 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol is CCCNC(CO)CCOc1ccc(CCO)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol?
The InChIKey is FEEQUTSSVMGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-9-16-14(12-18)8-11-19-15-5-3-13(4-6-15)7-10-17/h3-6,14,16-18H,2,7-12H2,1H3.
What are the key properties of 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol?
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.35, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 107710142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).