1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol

C13H21NO3 — CID 62338062

IUPAC1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1cccc(OCC)c1
InChIInChI=1S/C13H21NO3/c1-3-14-9-11(15)10-17-13-7-5-6-12(8-13)16-4-2/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyXDABRVIRWLZBHM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.43
Rot. Bonds8

About 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol

1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol (PubChem CID 62338062) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
PubChem CID62338062
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1cccc(OCC)c1
InChIInChI=1S/C13H21NO3/c1-3-14-9-11(15)10-17-13-7-5-6-12(8-13)16-4-2/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyXDABRVIRWLZBHM-UHFFFAOYSA-N
XLogP1.43
TPSA50.72 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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxyphenoxy)-3-hydroxybutanenitrile
CID 112507925
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
CID 62548727
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol (CID 62338062) is 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol is CCNCC(O)COc1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol?
The InChIKey is XDABRVIRWLZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-14-9-11(15)10-17-13-7-5-6-12(8-13)16-4-2/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol?
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 62338062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).