2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine

C16H25NO — CID 103273499

IUPAC2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2ccc(C)cc2C)CCC1
InChIInChI=1S/C16H25NO/c1-4-17-11-10-16(8-5-9-16)18-15-7-6-13(2)12-14(15)3/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyPMQUXEVTTFDOCO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds6

About 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine

2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine (PubChem CID 103273499) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
PubChem CID103273499
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2ccc(C)cc2C)CCC1
InChIInChI=1S/C16H25NO/c1-4-17-11-10-16(8-5-9-16)18-15-7-6-13(2)12-14(15)3/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyPMQUXEVTTFDOCO-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857
N-ethyl-2-[1-(2,4,5-trichlorophenoxy)cyclobutyl]ethanamine
CID 103273417
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273818
2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
CID 103273382
2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
CID 103274245
N-[2-[1-(4-fluoro-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274345
1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
CID 126974003
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine (CID 103273499) is 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine is CCNCCC1(Oc2ccc(C)cc2C)CCC1.
What is the InChIKey of 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine?
The InChIKey is PMQUXEVTTFDOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-11-10-16(8-5-9-16)18-15-7-6-13(2)12-14(15)3/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine?
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine is sourced from PubChem (CID 103273499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).