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

C13H21NO3 — CID 64809091

IUPAC4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCOc1ccccc1CO
InChIInChI=1S/C13H21NO3/c1-13(10-16,14-2)7-8-17-12-6-4-3-5-11(12)9-15/h3-6,14-16H,7-10H2,1-2H3
InChIKeyBOXXDRXMGMCVJJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.92
Rot. Bonds7

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

4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64809091) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64809091
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCOc1ccccc1CO
InChIInChI=1S/C13H21NO3/c1-13(10-16,14-2)7-8-17-12-6-4-3-5-11(12)9-15/h3-6,14-16H,7-10H2,1-2H3
InChIKeyBOXXDRXMGMCVJJ-UHFFFAOYSA-N
XLogP0.92
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64808680
4-[2-(hydroxymethyl)phenoxy]-2,2-dimethylbutanethioamide
CID 65248067
2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804791
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
CID 116695402
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)butanoic acid
CID 63654688
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64804920
(2-octoxyphenyl)methanol
CID 43128604
2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
CID 63654501

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol (CID 64809091) is 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCOc1ccccc1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is BOXXDRXMGMCVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(10-16,14-2)7-8-17-12-6-4-3-5-11(12)9-15/h3-6,14-16H,7-10H2,1-2H3.
What are the key properties of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol?
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64809091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).