1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine

C14H21NO2 — CID 117343241

IUPAC1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
SMILESCCOc1cc(C2(N)CCC2)c(OC)cc1C
InChIInChI=1S/C14H21NO2/c1-4-17-12-9-11(14(15)6-5-7-14)13(16-3)8-10(12)2/h8-9H,4-7,15H2,1-3H3
InChIKeyIBULSYHXHCGUPI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds4

About 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine

1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine (PubChem CID 117343241) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
PubChem CID117343241
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
SMILESCCOc1cc(C2(N)CCC2)c(OC)cc1C
InChIInChI=1S/C14H21NO2/c1-4-17-12-9-11(14(15)6-5-7-14)13(16-3)8-10(12)2/h8-9H,4-7,15H2,1-3H3
InChIKeyIBULSYHXHCGUPI-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117472145
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
CID 117444888
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
CID 117421996
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine (CID 117343241) is 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine is CCOc1cc(C2(N)CCC2)c(OC)cc1C.
What is the InChIKey of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine?
The InChIKey is IBULSYHXHCGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-12-9-11(14(15)6-5-7-14)13(16-3)8-10(12)2/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine?
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117343241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).