3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol

C12H19NO2 — CID 62536428

IUPAC3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
SMILESCOCC(C)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C12H19NO2/c1-8-5-6-11(10(3)12(8)14)13-9(2)7-15-4/h5-6,9,13-14H,7H2,1-4H3
InChIKeyVTGIHSNVXPTMFN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.46
Rot. Bonds4

About 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol

3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol (PubChem CID 62536428) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
PubChem CID62536428
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
SMILESCOCC(C)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C12H19NO2/c1-8-5-6-11(10(3)12(8)14)13-9(2)7-15-4/h5-6,9,13-14H,7H2,1-4H3
InChIKeyVTGIHSNVXPTMFN-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hex-5-en-2-ylamino)-2,6-dimethylphenol
CID 104655583
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 90001609
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
methyl 4-(1-methoxypropan-2-ylamino)-3-methylbenzoate
CID 62535082
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541859
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol (CID 62536428) is 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol is COCC(C)Nc1ccc(C)c(O)c1C.
What is the InChIKey of 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol?
The InChIKey is VTGIHSNVXPTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-6-11(10(3)12(8)14)13-9(2)7-15-4/h5-6,9,13-14H,7H2,1-4H3.
What are the key properties of 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol?
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol has a molecular weight of 209.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol is sourced from PubChem (CID 62536428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).