1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine

C13H21NO — CID 82126575

IUPAC1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-6-7-12(8-11(10)2)15-9-13(3,4)14-5/h6-8,14H,9H2,1-5H3
InChIKeyURNOTSRKGWDNCK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds4

About 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine

1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine (PubChem CID 82126575) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine
PubChem CID82126575
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-6-7-12(8-11(10)2)15-9-13(3,4)14-5/h6-8,14H,9H2,1-5H3
InChIKeyURNOTSRKGWDNCK-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine 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

1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783
1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
CID 94686640
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354090
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672867
CID 59952153
CID 59952153
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine (CID 82126575) is 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine is CNC(C)(C)COc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine?
The InChIKey is URNOTSRKGWDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-7-12(8-11(10)2)15-9-13(3,4)14-5/h6-8,14H,9H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine?
1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 82126575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).