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

C14H23NO3 — CID 63986764

IUPAC1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COc1cccc(COC)c1
InChIInChI=1S/C14H23NO3/c1-3-7-15-9-13(16)11-18-14-6-4-5-12(8-14)10-17-2/h4-6,8,13,15-16H,3,7,9-11H2,1-2H3
InChIKeyQEEDWFOMUSTQNT-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.57
Rot. Bonds9

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

1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol (PubChem CID 63986764) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
PubChem CID63986764
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COc1cccc(COC)c1
InChIInChI=1S/C14H23NO3/c1-3-7-15-9-13(16)11-18-14-6-4-5-12(8-14)10-17-2/h4-6,8,13,15-16H,3,7,9-11H2,1-2H3
InChIKeyQEEDWFOMUSTQNT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
1-(3-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 43090702
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
CID 64811194
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 106401529

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol (CID 63986764) is 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol is CCCNCC(O)COc1cccc(COC)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol?
The InChIKey is QEEDWFOMUSTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-7-15-9-13(16)11-18-14-6-4-5-12(8-14)10-17-2/h4-6,8,13,15-16H,3,7,9-11H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol?
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)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-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 63986764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).