3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine

C15H25NO — CID 79615967

IUPAC3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCNC(Cc1c(C)cc(C)cc1C)C(C)OC
InChIInChI=1S/C15H25NO/c1-10-7-11(2)14(12(3)8-10)9-15(16-5)13(4)17-6/h7-8,13,15-16H,9H2,1-6H3
InChIKeyYGYKMADBJIWMKD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.78
Rot. Bonds5

About 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine

3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 79615967) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID79615967
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCNC(Cc1c(C)cc(C)cc1C)C(C)OC
InChIInChI=1S/C15H25NO/c1-10-7-11(2)14(12(3)8-10)9-15(16-5)13(4)17-6/h7-8,13,15-16H,9H2,1-6H3
InChIKeyYGYKMADBJIWMKD-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-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-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine
CID 79615977
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
[1,1-dimethoxy-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105246156
N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65132056
[3-ethoxy-1-(2,4,6-trimethylphenyl)butan-2-yl]hydrazine
CID 105222980
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 103025022
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652
4-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 113391370
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine (CID 79615967) is 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine is CNC(Cc1c(C)cc(C)cc1C)C(C)OC.
What is the InChIKey of 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is YGYKMADBJIWMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-7-11(2)14(12(3)8-10)9-15(16-5)13(4)17-6/h7-8,13,15-16H,9H2,1-6H3.
What are the key properties of 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 79615967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).