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

C15H23ClN2O — CID 103815664

IUPAC2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
SMILESCN(CCOc1cccc(Cl)c1)CC1CCCNC1
InChIInChI=1S/C15H23ClN2O/c1-18(12-13-4-3-7-17-11-13)8-9-19-15-6-2-5-14(16)10-15/h2,5-6,10,13,17H,3-4,7-9,11-12H2,1H3
InChIKeyFFSYAWLXRACYAK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.65
Rot. Bonds6

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

2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 103815664) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID103815664
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
SMILESCN(CCOc1cccc(Cl)c1)CC1CCCNC1
InChIInChI=1S/C15H23ClN2O/c1-18(12-13-4-3-7-17-11-13)8-9-19-15-6-2-5-14(16)10-15/h2,5-6,10,13,17H,3-4,7-9,11-12H2,1H3
InChIKeyFFSYAWLXRACYAK-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106636309
N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine (CID 103815664) is 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine is CN(CCOc1cccc(Cl)c1)CC1CCCNC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is FFSYAWLXRACYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(12-13-4-3-7-17-11-13)8-9-19-15-6-2-5-14(16)10-15/h2,5-6,10,13,17H,3-4,7-9,11-12H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 103815664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).