1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine

C13H19NO2 — CID 117316614

IUPAC1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2(N)CCC2)c(OC)c1C
InChIInChI=1S/C13H19NO2/c1-9-11(15-2)6-5-10(12(9)16-3)13(14)7-4-8-13/h5-6H,4,7-8,14H2,1-3H3
InChIKeyXUBXREADXFVOJR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.35
Rot. Bonds3

About 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine

1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine (PubChem CID 117316614) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
PubChem CID117316614
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2(N)CCC2)c(OC)c1C
InChIInChI=1S/C13H19NO2/c1-9-11(15-2)6-5-10(12(9)16-3)13(14)7-4-8-13/h5-6H,4,7-8,14H2,1-3H3
InChIKeyXUBXREADXFVOJR-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 117459726
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine (CID 117316614) is 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine is COc1ccc(C2(N)CCC2)c(OC)c1C.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine?
The InChIKey is XUBXREADXFVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-11(15-2)6-5-10(12(9)16-3)13(14)7-4-8-13/h5-6H,4,7-8,14H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine?
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117316614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).