3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine

C16H25NO2 — CID 64687156

IUPAC3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(OC)cc2)C1(C)C
InChIInChI=1S/C16H25NO2/c1-5-19-15-10-14(16(15,2)3)17-11-12-6-8-13(18-4)9-7-12/h6-9,14-15,17H,5,10-11H2,1-4H3
InChIKeyIUJXKEKXHDXSIQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds6

About 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 64687156) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID64687156
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(OC)cc2)C1(C)C
InChIInChI=1S/C16H25NO2/c1-5-19-15-10-14(16(15,2)3)17-11-12-6-8-13(18-4)9-7-12/h6-9,14-15,17H,5,10-11H2,1-4H3
InChIKeyIUJXKEKXHDXSIQ-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-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

Related Compounds

3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 64850958
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743145
3-ethoxy-2,2-dimethyl-N-[(3-methyl-4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 75497543
2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 100674547
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
CID 113239738
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
N-ethyl-3-(4-methoxyphenyl)-2,2-dimethylcyclobutan-1-amine
CID 81418033
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine (CID 64687156) is 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCc2ccc(OC)cc2)C1(C)C.
What is the InChIKey of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is IUJXKEKXHDXSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-19-15-10-14(16(15,2)3)17-11-12-6-8-13(18-4)9-7-12/h6-9,14-15,17H,5,10-11H2,1-4H3.
What are the key properties of 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64687156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).