3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine

C13H19NO — CID 64997497

IUPAC3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCCC1CC(N)(c2cccc(OC)c2)C1
InChIInChI=1S/C13H19NO/c1-3-10-8-13(14,9-10)11-5-4-6-12(7-11)15-2/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyGEHUEKZFSJXXAZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds3

About 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine

3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine (PubChem CID 64997497) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
PubChem CID64997497
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCCC1CC(N)(c2cccc(OC)c2)C1
InChIInChI=1S/C13H19NO/c1-3-10-8-13(14,9-10)11-5-4-6-12(7-11)15-2/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyGEHUEKZFSJXXAZ-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(3-methoxyphenyl)adamantane
CID 54036220
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine
CID 115040907
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
1-(3-methylphenyl)-3-propylcyclobutan-1-amine
CID 65013464
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 90198014
cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 118730209

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine (CID 64997497) is 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine is CCC1CC(N)(c2cccc(OC)c2)C1.
What is the InChIKey of 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is GEHUEKZFSJXXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10-8-13(14,9-10)11-5-4-6-12(7-11)15-2/h4-7,10H,3,8-9,14H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine?
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 64997497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).