4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol

C14H23NO3 — CID 64808688

IUPAC4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCOc1cccc(COC)c1
InChIInChI=1S/C14H23NO3/c1-14(11-16,15-2)7-8-18-13-6-4-5-12(9-13)10-17-3/h4-6,9,15-16H,7-8,10-11H2,1-3H3
InChIKeyHQBPVSGQDVVJPD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.57
Rot. Bonds8

About 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol

4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64808688) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64808688
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCOc1cccc(COC)c1
InChIInChI=1S/C14H23NO3/c1-14(11-16,15-2)7-8-18-13-6-4-5-12(9-13)10-17-3/h4-6,9,15-16H,7-8,10-11H2,1-3H3
InChIKeyHQBPVSGQDVVJPD-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
CID 63984047

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol (CID 64808688) is 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCOc1cccc(COC)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is HQBPVSGQDVVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(11-16,15-2)7-8-18-13-6-4-5-12(9-13)10-17-3/h4-6,9,15-16H,7-8,10-11H2,1-3H3.
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64808688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).