1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol

C15H25NO3 — CID 114491652

IUPAC1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
SMILESCNCc1ccc(OCC(C)(O)C(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-11(2)15(3,17)10-19-13-7-6-12(9-16-4)8-14(13)18-5/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyFRTFLIJTCSFARZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds7

About 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol

1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491652) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491652
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
SMILESCNCc1ccc(OCC(C)(O)C(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-11(2)15(3,17)10-19-13-7-6-12(9-16-4)8-14(13)18-5/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyFRTFLIJTCSFARZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63057656
1-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491839
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
5-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256732
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 106722034
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol (CID 114491652) is 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol is CNCc1ccc(OCC(C)(O)C(C)C)c(OC)c1.
What is the InChIKey of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is FRTFLIJTCSFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)15(3,17)10-19-13-7-6-12(9-16-4)8-14(13)18-5/h6-8,11,16-17H,9-10H2,1-5H3.
What are the key properties of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).