N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine

C16H25N — CID 64997601

IUPACN-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(C)cc2)CC(CC)C1
InChIInChI=1S/C16H25N/c1-4-14-10-16(11-14,12-17-5-2)15-8-6-13(3)7-9-15/h6-9,14,17H,4-5,10-12H2,1-3H3
InChIKeyOZMRRYLRWCZAKF-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds5

About N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine

N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine (PubChem CID 64997601) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine
PubChem CID64997601
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(C)cc2)CC(CC)C1
InChIInChI=1S/C16H25N/c1-4-14-10-16(11-14,12-17-5-2)15-8-6-13(3)7-9-15/h6-9,14,17H,4-5,10-12H2,1-3H3
InChIKeyOZMRRYLRWCZAKF-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine 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 N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine (CID 64997601) is N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine is CCNCC1(c2ccc(C)cc2)CC(CC)C1.
What is the InChIKey of N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine?
The InChIKey is OZMRRYLRWCZAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14-10-16(11-14,12-17-5-2)15-8-6-13(3)7-9-15/h6-9,14,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine?
N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-1-(4-methylphenyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 64997601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).