2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine

C16H25NO2 — CID 106200897

IUPAC2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)COCCC1CCC1
InChIInChI=1S/C16H25NO2/c1-12-6-7-16(18-2)14(10-12)15(17)11-19-9-8-13-4-3-5-13/h6-7,10,13,15H,3-5,8-9,11,17H2,1-2H3
InChIKeyCVJAEMYKGLFTEI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds7

About 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine

2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 106200897) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID106200897
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)COCCC1CCC1
InChIInChI=1S/C16H25NO2/c1-12-6-7-16(18-2)14(10-12)15(17)11-19-9-8-13-4-3-5-13/h6-7,10,13,15H,3-5,8-9,11,17H2,1-2H3
InChIKeyCVJAEMYKGLFTEI-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 106200897) is 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)COCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is CVJAEMYKGLFTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-7-16(18-2)14(10-12)15(17)11-19-9-8-13-4-3-5-13/h6-7,10,13,15H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 106200897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).