N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine

C16H18Cl2N2 — CID 46158172

IUPACN-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cncc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-3-20(4-2)11-12-8-13(10-19-9-12)14-6-5-7-15(17)16(14)18/h5-10H,3-4,11H2,1-2H3
InChIKeyYFZRPYFURKALPY-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.90
Rot. Bonds5

About N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine

N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine (PubChem CID 46158172) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine
PubChem CID46158172
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cncc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-3-20(4-2)11-12-8-13(10-19-9-12)14-6-5-7-15(17)16(14)18/h5-10H,3-4,11H2,1-2H3
InChIKeyYFZRPYFURKALPY-UHFFFAOYSA-N
XLogP4.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine 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

3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
CID 82540749
N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine
CID 46044503
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine
CID 173298108
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152
5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
CID 96599344
3-(2,3-dichlorophenyl)quinoline
CID 175328556
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972
5-(2,3-dichlorophenyl)-2-methoxypyridin-3-amine
CID 133087146

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine (CID 46158172) is N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine is CCN(CC)Cc1cncc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine?
The InChIKey is YFZRPYFURKALPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-20(4-2)11-12-8-13(10-19-9-12)14-6-5-7-15(17)16(14)18/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine?
N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine has a molecular weight of 309.24 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 46158172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).