2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine

C13H21NO — CID 116719776

IUPAC2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine
SMILESCOC(C(C)C)C(N)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-9(2)13(15-4)12(14)11-7-5-10(3)6-8-11/h5-9,12-13H,14H2,1-4H3
InChIKeyUAUHUKFFXJLGBS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds4

About 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine

2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine (PubChem CID 116719776) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine
PubChem CID116719776
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine
SMILESCOC(C(C)C)C(N)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-9(2)13(15-4)12(14)11-7-5-10(3)6-8-11/h5-9,12-13H,14H2,1-4H3
InChIKeyUAUHUKFFXJLGBS-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine (CID 116719776) is 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine is COC(C(C)C)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine?
The InChIKey is UAUHUKFFXJLGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13(15-4)12(14)11-7-5-10(3)6-8-11/h5-9,12-13H,14H2,1-4H3.
What are the key properties of 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine?
2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 116719776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).