2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine

C16H25NO — CID 106200830

IUPAC2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)COCCC2CCC2)c1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)10-15(9-12)16(17)11-18-7-6-14-4-3-5-14/h8-10,14,16H,3-7,11,17H2,1-2H3
InChIKeyGTVBGLOUTQGLSH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine

2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 106200830) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID106200830
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)COCCC2CCC2)c1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)10-15(9-12)16(17)11-18-7-6-14-4-3-5-14/h8-10,14,16H,3-7,11,17H2,1-2H3
InChIKeyGTVBGLOUTQGLSH-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-(3,4-dimethylphenyl)ethanamine
CID 114157408
2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
CID 114157406
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
CID 106203994
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
2-(2-cyclopropylethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 106200571
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 106201119
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine (CID 106200830) is 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)COCCC2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is GTVBGLOUTQGLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-13(2)10-15(9-12)16(17)11-18-7-6-14-4-3-5-14/h8-10,14,16H,3-7,11,17H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine?
2-(2-cyclobutylethoxy)-1-(3,5-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-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 106200830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).