3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine

C14H21NO — CID 116962770

IUPAC3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine
SMILESCOc1c(C)cc(C2CC(N)C2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-8-5-13(11-6-12(15)7-11)9(2)10(3)14(8)16-4/h5,11-12H,6-7,15H2,1-4H3
InChIKeyJEQMSIRBSGVUSO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds2

About 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine

3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine (PubChem CID 116962770) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine
PubChem CID116962770
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine
SMILESCOc1c(C)cc(C2CC(N)C2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-8-5-13(11-6-12(15)7-11)9(2)10(3)14(8)16-4/h5,11-12H,6-7,15H2,1-4H3
InChIKeyJEQMSIRBSGVUSO-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
4-(4-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine
CID 116962622
3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116926550
3-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 116962826
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161460
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 116917563
3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871327
[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454718
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
CID 116962785

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine (CID 116962770) is 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine is COc1c(C)cc(C2CC(N)C2)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine?
The InChIKey is JEQMSIRBSGVUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-8-5-13(11-6-12(15)7-11)9(2)10(3)14(8)16-4/h5,11-12H,6-7,15H2,1-4H3.
What are the key properties of 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine?
3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 116962770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).