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

C12H19NO3 — CID 64809319

IUPAC3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
SMILESCNC(CO)COc1cccc(COC)c1
InChIInChI=1S/C12H19NO3/c1-13-11(7-14)9-16-12-5-3-4-10(6-12)8-15-2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyNVCGVYZZLIONDN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.79
Rot. Bonds7

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

3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol (PubChem CID 64809319) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
PubChem CID64809319
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
SMILESCNC(CO)COc1cccc(COC)c1
InChIInChI=1S/C12H19NO3/c1-13-11(7-14)9-16-12-5-3-4-10(6-12)8-15-2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyNVCGVYZZLIONDN-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
CID 64811194
3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
CID 64806251
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
3-[4-(2-methoxyethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64807086
3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64810173
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol (CID 64809319) is 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol is CNC(CO)COc1cccc(COC)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The InChIKey is NVCGVYZZLIONDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13-11(7-14)9-16-12-5-3-4-10(6-12)8-15-2/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64809319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).