3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine

C18H30N2O — CID 114830661

IUPAC3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CCc2ccccc2)C1(C)C
InChIInChI=1S/C18H30N2O/c1-5-21-16-13-18(19,17(16,2)3)14-20(4)12-11-15-9-7-6-8-10-15/h6-10,16H,5,11-14,19H2,1-4H3
InChIKeyUWSOFZBJTXOEJU-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.69
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 114830661) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine
PubChem CID114830661
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CCc2ccccc2)C1(C)C
InChIInChI=1S/C18H30N2O/c1-5-21-16-13-18(19,17(16,2)3)14-20(4)12-11-15-9-7-6-8-10-15/h6-10,16H,5,11-14,19H2,1-4H3
InChIKeyUWSOFZBJTXOEJU-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine 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 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine (CID 114830661) is 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN(C)CCc2ccccc2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is UWSOFZBJTXOEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-21-16-13-18(19,17(16,2)3)14-20(4)12-11-15-9-7-6-8-10-15/h6-10,16H,5,11-14,19H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).