1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine

C16H25NO — CID 64998176

IUPAC1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCCC1CC(CNC)(c2ccc(C)c(OC)c2)C1
InChIInChI=1S/C16H25NO/c1-5-13-9-16(10-13,11-17-3)14-7-6-12(2)15(8-14)18-4/h6-8,13,17H,5,9-11H2,1-4H3
InChIKeyWZGGEHABIYBKRC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine

1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 64998176) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID64998176
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCCC1CC(CNC)(c2ccc(C)c(OC)c2)C1
InChIInChI=1S/C16H25NO/c1-5-13-9-16(10-13,11-17-3)14-7-6-12(2)15(8-14)18-4/h6-8,13,17H,5,9-11H2,1-4H3
InChIKeyWZGGEHABIYBKRC-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine (CID 64998176) is 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine is CCC1CC(CNC)(c2ccc(C)c(OC)c2)C1.
What is the InChIKey of 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is WZGGEHABIYBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-13-9-16(10-13,11-17-3)14-7-6-12(2)15(8-14)18-4/h6-8,13,17H,5,9-11H2,1-4H3.
What are the key properties of 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine?
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 64998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).