2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C17H28N2O — CID 79716779

IUPAC2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(OCCN(C)CC2CCNCC2)c1
InChIInChI=1S/C17H28N2O/c1-14-10-15(2)12-17(11-14)20-9-8-19(3)13-16-4-6-18-7-5-16/h10-12,16,18H,4-9,13H2,1-3H3
InChIKeyMHGPGWXXZANIFN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.61
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79716779) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79716779
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(OCCN(C)CC2CCNCC2)c1
InChIInChI=1S/C17H28N2O/c1-14-10-15(2)12-17(11-14)20-9-8-19(3)13-16-4-6-18-7-5-16/h10-12,16,18H,4-9,13H2,1-3H3
InChIKeyMHGPGWXXZANIFN-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 79716779) is 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is Cc1cc(C)cc(OCCN(C)CC2CCNCC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is MHGPGWXXZANIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-10-15(2)12-17(11-14)20-9-8-19(3)13-16-4-6-18-7-5-16/h10-12,16,18H,4-9,13H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79716779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).