2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine

C14H15ClN2O — CID 55104475

IUPAC2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine
SMILESCc1ccc(OC(CN)c2ccccn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10-5-6-13(11(15)8-10)18-14(9-16)12-4-2-3-7-17-12/h2-8,14H,9,16H2,1H3
InChIKeyGZLNJTBTIWOOBQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine

2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine (PubChem CID 55104475) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine
PubChem CID55104475
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine
SMILESCc1ccc(OC(CN)c2ccccn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10-5-6-13(11(15)8-10)18-14(9-16)12-4-2-3-7-17-12/h2-8,14H,9,16H2,1H3
InChIKeyGZLNJTBTIWOOBQ-UHFFFAOYSA-N
XLogP3.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine (CID 55104475) is 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine is Cc1ccc(OC(CN)c2ccccn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine?
The InChIKey is GZLNJTBTIWOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-5-6-13(11(15)8-10)18-14(9-16)12-4-2-3-7-17-12/h2-8,14H,9,16H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine?
2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine has a molecular weight of 262.74 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 55104475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).