1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

C16H18Cl2N2 — CID 107308542

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-20-14(9-12-5-4-8-19-11-12)10-13-6-3-7-15(17)16(13)18/h3-8,11,14,20H,2,9-10H2,1H3
InChIKeyXPIYRERLRSSLIL-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.15
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 107308542) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID107308542
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-20-14(9-12-5-4-8-19-11-12)10-13-6-3-7-15(17)16(13)18/h3-8,11,14,20H,2,9-10H2,1H3
InChIKeyXPIYRERLRSSLIL-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine 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-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
CID 107308540
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 107308542) is 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1cccnc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is XPIYRERLRSSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-20-14(9-12-5-4-8-19-11-12)10-13-6-3-7-15(17)16(13)18/h3-8,11,14,20H,2,9-10H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 309.24 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 107308542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).