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

C15H25NO3 — CID 63931889

IUPAC1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
SMILESCCNC(C)c1cccc(OCC(O)COCC)c1
InChIInChI=1S/C15H25NO3/c1-4-16-12(3)13-7-6-8-15(9-13)19-11-14(17)10-18-5-2/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeySQKYKIXMSXWIBK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds9

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

1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 63931889) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
PubChem CID63931889
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
SMILESCCNC(C)c1cccc(OCC(O)COCC)c1
InChIInChI=1S/C15H25NO3/c1-4-16-12(3)13-7-6-8-15(9-13)19-11-14(17)10-18-5-2/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeySQKYKIXMSXWIBK-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol (CID 63931889) is 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol is CCNC(C)c1cccc(OCC(O)COCC)c1.
What is the InChIKey of 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is SQKYKIXMSXWIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-16-12(3)13-7-6-8-15(9-13)19-11-14(17)10-18-5-2/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol?
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 63931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).