1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine

C15H23N — CID 64997896

IUPAC1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCCC1CC(CNC)(c2ccccc2C)C1
InChIInChI=1S/C15H23N/c1-4-13-9-15(10-13,11-16-3)14-8-6-5-7-12(14)2/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyFZGAIBXLBYQGPR-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.27
Rot. Bonds4

About 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine

1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 64997896) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID64997896
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCCC1CC(CNC)(c2ccccc2C)C1
InChIInChI=1S/C15H23N/c1-4-13-9-15(10-13,11-16-3)14-8-6-5-7-12(14)2/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyFZGAIBXLBYQGPR-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine (CID 64997896) is 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine is CCC1CC(CNC)(c2ccccc2C)C1.
What is the InChIKey of 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is FZGAIBXLBYQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-13-9-15(10-13,11-16-3)14-8-6-5-7-12(14)2/h5-8,13,16H,4,9-11H2,1-3H3.
What are the key properties of 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine?
1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 64997896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).