2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine

C15H16Cl2N2O — CID 55537534

IUPAC2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
SMILESCN(CCOc1cccc(Cl)c1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H16Cl2N2O/c1-19(11-12-5-6-15(17)18-10-12)7-8-20-14-4-2-3-13(16)9-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyZMVONKYZMSKYBC-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine

2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine (PubChem CID 55537534) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
PubChem CID55537534
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine
SMILESCN(CCOc1cccc(Cl)c1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H16Cl2N2O/c1-19(11-12-5-6-15(17)18-10-12)7-8-20-14-4-2-3-13(16)9-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyZMVONKYZMSKYBC-UHFFFAOYSA-N
XLogP3.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine 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

2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 131891193
2-(3-chlorophenoxy)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 131934164
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
CID 75421045
methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
CID 55431674
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
CID 62011529
2-(3-chlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylethanamine
CID 112798638
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine (CID 55537534) is 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine is CN(CCOc1cccc(Cl)c1)Cc1ccc(Cl)nc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine?
The InChIKey is ZMVONKYZMSKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-19(11-12-5-6-15(17)18-10-12)7-8-20-14-4-2-3-13(16)9-14/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine?
2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine has a molecular weight of 311.21 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanamine is sourced from PubChem (CID 55537534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).