N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine

C15H17ClN2O — CID 62321836

IUPACN-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H17ClN2O/c1-3-17-10-12-6-7-18-15(9-12)19-14-5-4-13(16)8-11(14)2/h4-9,17H,3,10H2,1-2H3
InChIKeyVJYLLQXUCXJHCO-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.95
Rot. Bonds5

About N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 62321836) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID62321836
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H17ClN2O/c1-3-17-10-12-6-7-18-15(9-12)19-14-5-4-13(16)8-11(14)2/h4-9,17H,3,10H2,1-2H3
InChIKeyVJYLLQXUCXJHCO-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 62321836) is N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is VJYLLQXUCXJHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-17-10-12-6-7-18-15(9-12)19-14-5-4-13(16)8-11(14)2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62321836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).