3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine

C15H23NO — CID 65004013

IUPAC3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCCC1(CC)CC(N)(c2ccc(OC)cc2)C1
InChIInChI=1S/C15H23NO/c1-4-14(5-2)10-15(16,11-14)12-6-8-13(17-3)9-7-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyKKJPMIMTSJVRAQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.45
Rot. Bonds4

About 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine

3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 65004013) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
PubChem CID65004013
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCCC1(CC)CC(N)(c2ccc(OC)cc2)C1
InChIInChI=1S/C15H23NO/c1-4-14(5-2)10-15(16,11-14)12-6-8-13(17-3)9-7-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyKKJPMIMTSJVRAQ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005732
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 55148646
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 146623806
2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009061
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
CID 115025190
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine (CID 65004013) is 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine is CCC1(CC)CC(N)(c2ccc(OC)cc2)C1.
What is the InChIKey of 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is KKJPMIMTSJVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(5-2)10-15(16,11-14)12-6-8-13(17-3)9-7-12/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine?
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 65004013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).