1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine

C13H21NO — CID 82470482

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(C)cc(C)c1CC(C)(C)N
InChIInChI=1S/C13H21NO/c1-9-6-10(2)11(8-13(3,4)14)12(7-9)15-5/h6-7H,8,14H2,1-5H3
InChIKeyXXWCKMAVQDQAFS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine

1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine (PubChem CID 82470482) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
PubChem CID82470482
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(C)cc(C)c1CC(C)(C)N
InChIInChI=1S/C13H21NO/c1-9-6-10(2)11(8-13(3,4)14)12(7-9)15-5/h6-7H,8,14H2,1-5H3
InChIKeyXXWCKMAVQDQAFS-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
CID 59743812
1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117371832
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
2-(2-amino-2-methylpropyl)-3-methoxy-6-methylphenol
CID 117299270
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120711475
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine (CID 82470482) is 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine is COc1cc(C)cc(C)c1CC(C)(C)N.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine?
The InChIKey is XXWCKMAVQDQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-6-10(2)11(8-13(3,4)14)12(7-9)15-5/h6-7H,8,14H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine?
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 82470482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).