1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine

C15H17ClN2O — CID 62323652

IUPAC1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-10-6-13(7-11(2)15(10)16)19-14-8-12(9-17-3)4-5-18-14/h4-8,17H,9H2,1-3H3
InChIKeyWLXRNERIZWMJSV-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 62323652) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID62323652
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-10-6-13(7-11(2)15(10)16)19-14-8-12(9-17-3)4-5-18-14/h4-8,17H,9H2,1-3H3
InChIKeyWLXRNERIZWMJSV-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 62323652) is 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is WLXRNERIZWMJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-6-13(7-11(2)15(10)16)19-14-8-12(9-17-3)4-5-18-14/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62323652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).