2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine

C15H23ClN2O — CID 117238932

IUPAC2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(N)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-18-9-7-12(8-10-18)15(17)11-19-14-5-3-13(16)4-6-14/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyXVRUFJCPSQGQOV-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine

2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 117238932) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID117238932
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(N)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-18-9-7-12(8-10-18)15(17)11-19-14-5-3-13(16)4-6-14/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyXVRUFJCPSQGQOV-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
CID 105151113
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine (CID 117238932) is 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine is CCN1CCC(C(N)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is XVRUFJCPSQGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-18-9-7-12(8-10-18)15(17)11-19-14-5-3-13(16)4-6-14/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine?
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 117238932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).