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

C14H23NO3 — CID 63933123

IUPAC1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
SMILESCCNCc1cccc(OCC(O)COCC)c1
InChIInChI=1S/C14H23NO3/c1-3-15-9-12-6-5-7-14(8-12)18-11-13(16)10-17-4-2/h5-8,13,15-16H,3-4,9-11H2,1-2H3
InChIKeyRWNFUDORTXLVEK-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.57
Rot. Bonds9

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

1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol (PubChem CID 63933123) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
PubChem CID63933123
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
SMILESCCNCc1cccc(OCC(O)COCC)c1
InChIInChI=1S/C14H23NO3/c1-3-15-9-12-6-5-7-14(8-12)18-11-13(16)10-17-4-2/h5-8,13,15-16H,3-4,9-11H2,1-2H3
InChIKeyRWNFUDORTXLVEK-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol (CID 63933123) is 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol is CCNCc1cccc(OCC(O)COCC)c1.
What is the InChIKey of 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is RWNFUDORTXLVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-15-9-12-6-5-7-14(8-12)18-11-13(16)10-17-4-2/h5-8,13,15-16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol?
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.57, 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-(ethylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 63933123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).