2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

C15H25NO — CID 116757449

IUPAC2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCC(C)(OC)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H25NO/c1-7-15(5,17-6)14(16)13-9-11(3)10(2)8-12(13)4/h8-9,14H,7,16H2,1-6H3
InChIKeyGMUGSAQFEQBWHX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.43
Rot. Bonds4

About 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 116757449) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID116757449
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCC(C)(OC)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H25NO/c1-7-15(5,17-6)14(16)13-9-11(3)10(2)8-12(13)4/h8-9,14H,7,16H2,1-6H3
InChIKeyGMUGSAQFEQBWHX-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (CID 116757449) is 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is CCC(C)(OC)C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is GMUGSAQFEQBWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-15(5,17-6)14(16)13-9-11(3)10(2)8-12(13)4/h8-9,14H,7,16H2,1-6H3.
What are the key properties of 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 116757449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).