2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine

C17H27NO2 — CID 83973829

IUPAC2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(CN)C2CCCC2)cc1OCC
InChIInChI=1S/C17H27NO2/c1-3-19-16-10-9-14(11-17(16)20-4-2)15(12-18)13-7-5-6-8-13/h9-11,13,15H,3-8,12,18H2,1-2H3
InChIKeyAFXAHOCPRMJLLH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.72
Rot. Bonds7

About 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine

2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine (PubChem CID 83973829) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
PubChem CID83973829
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(CN)C2CCCC2)cc1OCC
InChIInChI=1S/C17H27NO2/c1-3-19-16-10-9-14(11-17(16)20-4-2)15(12-18)13-7-5-6-8-13/h9-11,13,15H,3-8,12,18H2,1-2H3
InChIKeyAFXAHOCPRMJLLH-UHFFFAOYSA-N
XLogP3.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-diethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83973833
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83973503
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83923547
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine (CID 83973829) is 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine is CCOc1ccc(C(CN)C2CCCC2)cc1OCC.
What is the InChIKey of 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine?
The InChIKey is AFXAHOCPRMJLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-16-10-9-14(11-17(16)20-4-2)15(12-18)13-7-5-6-8-13/h9-11,13,15H,3-8,12,18H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine?
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine is sourced from PubChem (CID 83973829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).