[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine

C15H23NO2 — CID 117377054

IUPAC[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-10-11(2)14(18-4)12(8-13(10)17-3)15(9-16)6-5-7-15/h8H,5-7,9,16H2,1-4H3
InChIKeySSEADZSIDLQIRP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds4

About [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine

[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine (PubChem CID 117377054) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
PubChem CID117377054
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-10-11(2)14(18-4)12(8-13(10)17-3)15(9-16)6-5-7-15/h8H,5-7,9,16H2,1-4H3
InChIKeySSEADZSIDLQIRP-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
CID 117485715

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine (CID 117377054) is [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine is COc1cc(C2(CN)CCC2)c(OC)c(C)c1C.
What is the InChIKey of [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine?
The InChIKey is SSEADZSIDLQIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-11(2)14(18-4)12(8-13(10)17-3)15(9-16)6-5-7-15/h8H,5-7,9,16H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine?
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117377054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).