2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine

C15H23NO — CID 103273871

IUPAC2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCCc1ccccc1OC1(CCNC)CCC1
InChIInChI=1S/C15H23NO/c1-3-13-7-4-5-8-14(13)17-15(9-6-10-15)11-12-16-2/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyIBDROZSXRQSDLE-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.16
Rot. Bonds6

About 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine

2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine (PubChem CID 103273871) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
PubChem CID103273871
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCCc1ccccc1OC1(CCNC)CCC1
InChIInChI=1S/C15H23NO/c1-3-13-7-4-5-8-14(13)17-15(9-6-10-15)11-12-16-2/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyIBDROZSXRQSDLE-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine (CID 103273871) is 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine is CCc1ccccc1OC1(CCNC)CCC1.
What is the InChIKey of 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine?
The InChIKey is IBDROZSXRQSDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13-7-4-5-8-14(13)17-15(9-6-10-15)11-12-16-2/h4-5,7-8,16H,3,6,9-12H2,1-2H3.
What are the key properties of 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine?
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 103273871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).