1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C17H20Cl2N2 — CID 66448152

IUPAC1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1c(Cl)cccc1Cl)C(C)c1ccncc1
InChIInChI=1S/C17H20Cl2N2/c1-3-9-21-17(12(2)13-7-10-20-11-8-13)16-14(18)5-4-6-15(16)19/h4-8,10-12,17,21H,3,9H2,1-2H3
InChIKeyZNTXLVCTYHUCFY-UHFFFAOYSA-N
MW323.27 g/mol
LogP5.23
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448152) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66448152
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1c(Cl)cccc1Cl)C(C)c1ccncc1
InChIInChI=1S/C17H20Cl2N2/c1-3-9-21-17(12(2)13-7-10-20-11-8-13)16-14(18)5-4-6-15(16)19/h4-8,10-12,17,21H,3,9H2,1-2H3
InChIKeyZNTXLVCTYHUCFY-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-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-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
N,N'-dibutyl-1,2-bis(2,6-dichlorophenyl)ethane-1,2-diamine;dihydrochloride
CID 45264163
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 66448152) is 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1c(Cl)cccc1Cl)C(C)c1ccncc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is ZNTXLVCTYHUCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-3-9-21-17(12(2)13-7-10-20-11-8-13)16-14(18)5-4-6-15(16)19/h4-8,10-12,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 323.27 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).