1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol

C16H27NO3 — CID 63934370

IUPAC1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
SMILESCCNC(CC)c1ccccc1OCC(O)COCC
InChIInChI=1S/C16H27NO3/c1-4-15(17-5-2)14-9-7-8-10-16(14)20-12-13(18)11-19-6-3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyUGMYAADCPVUQPE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.52
Rot. Bonds10

About 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol

1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol (PubChem CID 63934370) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
PubChem CID63934370
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
SMILESCCNC(CC)c1ccccc1OCC(O)COCC
InChIInChI=1S/C16H27NO3/c1-4-15(17-5-2)14-9-7-8-10-16(14)20-12-13(18)11-19-6-3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyUGMYAADCPVUQPE-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103487528
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol (CID 63934370) is 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol is CCNC(CC)c1ccccc1OCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol?
The InChIKey is UGMYAADCPVUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-15(17-5-2)14-9-7-8-10-16(14)20-12-13(18)11-19-6-3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol?
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol is sourced from PubChem (CID 63934370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).