[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine

C14H21NO2 — CID 117343197

IUPAC[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
SMILESCCOc1cc(OC)ccc1C1(CN)CCC1
InChIInChI=1S/C14H21NO2/c1-3-17-13-9-11(16-2)5-6-12(13)14(10-15)7-4-8-14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyWVVGKHLZTOKGMP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.47
Rot. Bonds5

About [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine

[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 117343197) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
PubChem CID117343197
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
SMILESCCOc1cc(OC)ccc1C1(CN)CCC1
InChIInChI=1S/C14H21NO2/c1-3-17-13-9-11(16-2)5-6-12(13)14(10-15)7-4-8-14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyWVVGKHLZTOKGMP-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117343179
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117392540
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
CID 116995348
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine (CID 117343197) is [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine is CCOc1cc(OC)ccc1C1(CN)CCC1.
What is the InChIKey of [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is WVVGKHLZTOKGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-17-13-9-11(16-2)5-6-12(13)14(10-15)7-4-8-14/h5-6,9H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine?
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117343197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).