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

C17H20Cl2N2 — CID 105141906

IUPAC1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
SMILESCCCNC(CCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H20Cl2N2/c1-2-10-21-16(9-8-13-5-4-11-20-12-13)14-6-3-7-15(18)17(14)19/h3-7,11-12,16,21H,2,8-10H2,1H3
InChIKeyGJOBIAUZRSKNGG-UHFFFAOYSA-N
MW323.27 g/mol
LogP5.06
Rot. Bonds7

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

1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105141906) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105141906
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
SMILESCCCNC(CCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H20Cl2N2/c1-2-10-21-16(9-8-13-5-4-11-20-12-13)14-6-3-7-15(18)17(14)19/h3-7,11-12,16,21H,2,8-10H2,1H3
InChIKeyGJOBIAUZRSKNGG-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
1-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine (CID 105141906) is 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine is CCCNC(CCc1cccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is GJOBIAUZRSKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-2-10-21-16(9-8-13-5-4-11-20-12-13)14-6-3-7-15(18)17(14)19/h3-7,11-12,16,21H,2,8-10H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 323.27 g/mol, XLogP of 5.06, 7 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-propyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105141906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).