1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine

C13H19NO3 — CID 117346828

IUPAC1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1cc(OC)c(OC)c(C2(N)CCC2)c1
InChIInChI=1S/C13H19NO3/c1-15-9-7-10(13(14)5-4-6-13)12(17-3)11(8-9)16-2/h7-8H,4-6,14H2,1-3H3
InChIKeyLRBJBIBIOBEIGO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine

1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine (PubChem CID 117346828) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
PubChem CID117346828
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1cc(OC)c(OC)c(C2(N)CCC2)c1
InChIInChI=1S/C13H19NO3/c1-15-9-7-10(13(14)5-4-6-13)12(17-3)11(8-9)16-2/h7-8H,4-6,14H2,1-3H3
InChIKeyLRBJBIBIOBEIGO-UHFFFAOYSA-N
XLogP2.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,5-trimethoxyphenyl)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

Related Compounds

[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine (CID 117346828) is 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine is COc1cc(OC)c(OC)c(C2(N)CCC2)c1.
What is the InChIKey of 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine?
The InChIKey is LRBJBIBIOBEIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-7-10(13(14)5-4-6-13)12(17-3)11(8-9)16-2/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine?
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117346828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).