1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine

C14H14Cl2N2O — CID 114928615

IUPAC1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(C)cc2Cl)ncc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-9-3-4-13(11(15)5-9)19-14-6-10(7-17-2)12(16)8-18-14/h3-6,8,17H,7H2,1-2H3
InChIKeyUREWIUZIKSJSFN-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.21
Rot. Bonds4

About 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928615) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID114928615
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(C)cc2Cl)ncc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-9-3-4-13(11(15)5-9)19-14-6-10(7-17-2)12(16)8-18-14/h3-6,8,17H,7H2,1-2H3
InChIKeyUREWIUZIKSJSFN-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[5-chloro-2-(3,5-dimethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114927908

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 114928615) is 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1cc(Oc2ccc(C)cc2Cl)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is UREWIUZIKSJSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9-3-4-13(11(15)5-9)19-14-6-10(7-17-2)12(16)8-18-14/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 297.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).