2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine

C16H25NO — CID 114157408

IUPAC2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)COCCC2CCC2)cc1C
InChIInChI=1S/C16H25NO/c1-12-6-7-15(10-13(12)2)16(17)11-18-9-8-14-4-3-5-14/h6-7,10,14,16H,3-5,8-9,11,17H2,1-2H3
InChIKeyQRJSPGHYPFHLDD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine

2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine (PubChem CID 114157408) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
PubChem CID114157408
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)COCCC2CCC2)cc1C
InChIInChI=1S/C16H25NO/c1-12-6-7-15(10-13(12)2)16(17)11-18-9-8-14-4-3-5-14/h6-7,10,14,16H,3-5,8-9,11,17H2,1-2H3
InChIKeyQRJSPGHYPFHLDD-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 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 ≤ 53.51
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

2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830
2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
CID 114157406
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587392
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
2-(2-cyclopropylethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 106200571
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
CID 106203994
1-(3,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200555
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine (CID 114157408) is 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)COCCC2CCC2)cc1C.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine?
The InChIKey is QRJSPGHYPFHLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-7-15(10-13(12)2)16(17)11-18-9-8-14-4-3-5-14/h6-7,10,14,16H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine?
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 114157408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).