2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine

C15H23NO — CID 103273603

IUPAC2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cc(C)ccc2C)CCC1
InChIInChI=1S/C15H23NO/c1-12-5-6-13(2)14(11-12)17-15(7-4-8-15)9-10-16-3/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyGRQCISVESGGLPY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds5

About 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine

2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine (PubChem CID 103273603) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
PubChem CID103273603
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cc(C)ccc2C)CCC1
InChIInChI=1S/C15H23NO/c1-12-5-6-13(2)14(11-12)17-15(7-4-8-15)9-10-16-3/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyGRQCISVESGGLPY-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 107726464
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274216
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine (CID 103273603) is 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine is CNCCC1(Oc2cc(C)ccc2C)CCC1.
What is the InChIKey of 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
The InChIKey is GRQCISVESGGLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-6-13(2)14(11-12)17-15(7-4-8-15)9-10-16-3/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 103273603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).