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

C13H21NO3 — CID 64811194

IUPAC2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
SMILESCCNC(CO)COc1cccc(COC)c1
InChIInChI=1S/C13H21NO3/c1-3-14-12(8-15)10-17-13-6-4-5-11(7-13)9-16-2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyHIHTUZFAZPDYGF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.18
Rot. Bonds8

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

2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol (PubChem CID 64811194) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
PubChem CID64811194
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
SMILESCCNC(CO)COc1cccc(COC)c1
InChIInChI=1S/C13H21NO3/c1-3-14-12(8-15)10-17-13-6-4-5-11(7-13)9-16-2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyHIHTUZFAZPDYGF-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
2-(ethylamino)-3-[4-(hydroxymethyl)phenoxy]propan-1-ol
CID 64808726
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
CID 77101360
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol?
The IUPAC name of 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol (CID 64811194) is 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol is CCNC(CO)COc1cccc(COC)c1.
What is the InChIKey of 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol?
The InChIKey is HIHTUZFAZPDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-14-12(8-15)10-17-13-6-4-5-11(7-13)9-16-2/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol?
2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 64811194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).