3-amino-4-(4-propoxyphenoxy)butan-1-ol

C13H21NO3 — CID 64899439

IUPAC3-amino-4-(4-propoxyphenoxy)butan-1-ol
SMILESCCCOc1ccc(OCC(N)CCO)cc1
InChIInChI=1S/C13H21NO3/c1-2-9-16-12-3-5-13(6-4-12)17-10-11(14)7-8-15/h3-6,11,15H,2,7-10,14H2,1H3
InChIKeyCXFNWMFOAZKJBD-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.56
Rot. Bonds8

About 3-amino-4-(4-propoxyphenoxy)butan-1-ol

3-amino-4-(4-propoxyphenoxy)butan-1-ol (PubChem CID 64899439) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-amino-4-(4-propoxyphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(4-propoxyphenoxy)butan-1-ol
PubChem CID64899439
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-amino-4-(4-propoxyphenoxy)butan-1-ol
SMILESCCCOc1ccc(OCC(N)CCO)cc1
InChIInChI=1S/C13H21NO3/c1-2-9-16-12-3-5-13(6-4-12)17-10-11(14)7-8-15/h3-6,11,15H,2,7-10,14H2,1H3
InChIKeyCXFNWMFOAZKJBD-UHFFFAOYSA-N
XLogP1.56
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
3-amino-3-(4-decoxyphenyl)propan-1-ol
CID 170874519
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
CID 114358070
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280
2-amino-6-(4-propoxyphenoxy)hexane-1-thiol;hydrochloride
CID 18435857
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
4-amino-3-(3-propoxyphenyl)pentan-1-ol
CID 66092391

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-propoxyphenoxy)butan-1-ol?
The IUPAC name of 3-amino-4-(4-propoxyphenoxy)butan-1-ol (CID 64899439) is 3-amino-4-(4-propoxyphenoxy)butan-1-ol.
What is the SMILES notation for 3-amino-4-(4-propoxyphenoxy)butan-1-ol?
The canonical SMILES for 3-amino-4-(4-propoxyphenoxy)butan-1-ol is CCCOc1ccc(OCC(N)CCO)cc1.
What is the InChIKey of 3-amino-4-(4-propoxyphenoxy)butan-1-ol?
The InChIKey is CXFNWMFOAZKJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-9-16-12-3-5-13(6-4-12)17-10-11(14)7-8-15/h3-6,11,15H,2,7-10,14H2,1H3.
What are the key properties of 3-amino-4-(4-propoxyphenoxy)butan-1-ol?
3-amino-4-(4-propoxyphenoxy)butan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-propoxyphenoxy)butan-1-ol is sourced from PubChem (CID 64899439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).