4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol

C13H21NO2 — CID 64897598

IUPAC4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)COc1cc(C)cc(C)c1
InChIInChI=1S/C13H21NO2/c1-10-6-11(2)8-13(7-10)16-9-12(14-3)4-5-15/h6-8,12,14-15H,4-5,9H2,1-3H3
InChIKeyLFDIEGLTMLIARP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds6

About 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol

4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol (PubChem CID 64897598) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
PubChem CID64897598
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)COc1cc(C)cc(C)c1
InChIInChI=1S/C13H21NO2/c1-10-6-11(2)8-13(7-10)16-9-12(14-3)4-5-15/h6-8,12,14-15H,4-5,9H2,1-3H3
InChIKeyLFDIEGLTMLIARP-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
CID 64900161
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol
CID 64802692
4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
CID 62320365
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
CID 112500996
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol?
The IUPAC name of 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol (CID 64897598) is 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol is CNC(CCO)COc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol?
The InChIKey is LFDIEGLTMLIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-6-11(2)8-13(7-10)16-9-12(14-3)4-5-15/h6-8,12,14-15H,4-5,9H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol?
4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64897598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).