[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine

C14H21NO3 — CID 117381441

IUPAC[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
SMILESCOc1cc(OC)c(OC)c(C2(CN)CCC2)c1
InChIInChI=1S/C14H21NO3/c1-16-10-7-11(14(9-15)5-4-6-14)13(18-3)12(8-10)17-2/h7-8H,4-6,9,15H2,1-3H3
InChIKeyWGRBOLYJWNABLX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.09
Rot. Bonds5

About [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine

[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine (PubChem CID 117381441) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
PubChem CID117381441
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
SMILESCOc1cc(OC)c(OC)c(C2(CN)CCC2)c1
InChIInChI=1S/C14H21NO3/c1-16-10-7-11(14(9-15)5-4-6-14)13(18-3)12(8-10)17-2/h7-8H,4-6,9,15H2,1-3H3
InChIKeyWGRBOLYJWNABLX-UHFFFAOYSA-N
XLogP2.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine 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-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine (CID 117381441) is [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine is COc1cc(OC)c(OC)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine?
The InChIKey is WGRBOLYJWNABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-10-7-11(14(9-15)5-4-6-14)13(18-3)12(8-10)17-2/h7-8H,4-6,9,15H2,1-3H3.
What are the key properties of [1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine?
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.09, 5 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)cyclobutyl]methanamine is sourced from PubChem (CID 117381441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).