2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

C15H24Cl2N2O — CID 119929847

IUPAC2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCN(CCOc1ccccc1Cl)CC1CCCNC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-18(12-13-5-4-8-17-11-13)9-10-19-15-7-3-2-6-14(15)16;/h2-3,6-7,13,17H,4-5,8-12H2,1H3;1H
InChIKeyOVAYORYXSKJBKT-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.07
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 119929847) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID119929847
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCN(CCOc1ccccc1Cl)CC1CCCNC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-18(12-13-5-4-8-17-11-13)9-10-19-15-7-3-2-6-14(15)16;/h2-3,6-7,13,17H,4-5,8-12H2,1H3;1H
InChIKeyOVAYORYXSKJBKT-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (CID 119929847) is 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is CN(CCOc1ccccc1Cl)CC1CCCNC1.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is OVAYORYXSKJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-18(12-13-5-4-8-17-11-13)9-10-19-15-7-3-2-6-14(15)16;/h2-3,6-7,13,17H,4-5,8-12H2,1H3;1H.
What are the key properties of 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 119929847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).