[4-(3-chlorophenoxy)-2-pyridinyl]methanamine

C12H11ClN2O — CID 54594451

IUPAC[4-(3-chlorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Cl)c2)ccn1
InChIInChI=1S/C12H11ClN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
InChIKeyWQZZQDGUSNGRJC-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.99
Rot. Bonds3

About [4-(3-chlorophenoxy)-2-pyridinyl]methanamine

[4-(3-chlorophenoxy)-2-pyridinyl]methanamine (PubChem CID 54594451) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is [4-(3-chlorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenoxy)-2-pyridinyl]methanamine
PubChem CID54594451
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name[4-(3-chlorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Cl)c2)ccn1
InChIInChI=1S/C12H11ClN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
InChIKeyWQZZQDGUSNGRJC-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chlorophenoxy)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3-chlorophenoxy)-2-pyridinyl]methanamine (CID 54594451) is [4-(3-chlorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-chlorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3-chlorophenoxy)-2-pyridinyl]methanamine is NCc1cc(Oc2cccc(Cl)c2)ccn1.
What is the InChIKey of [4-(3-chlorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is WQZZQDGUSNGRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2.
What are the key properties of [4-(3-chlorophenoxy)-2-pyridinyl]methanamine?
[4-(3-chlorophenoxy)-2-pyridinyl]methanamine has a molecular weight of 234.69 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 54594451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).