N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine

C16H18Cl2N2 — CID 107308391

IUPACN-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ccccn1
InChIInChI=1S/C16H18Cl2N2/c1-2-9-19-15(14-8-3-4-10-20-14)11-12-6-5-7-13(17)16(12)18/h3-8,10,15,19H,2,9,11H2,1H3
InChIKeyOYSYUCGDAXSAIW-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.67
Rot. Bonds6

About N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine

N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine (PubChem CID 107308391) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
PubChem CID107308391
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ccccn1
InChIInChI=1S/C16H18Cl2N2/c1-2-9-19-15(14-8-3-4-10-20-14)11-12-6-5-7-13(17)16(12)18/h3-8,10,15,19H,2,9,11H2,1H3
InChIKeyOYSYUCGDAXSAIW-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107309029
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine
CID 62599941
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107308639
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine (CID 107308391) is N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)c1ccccn1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is OYSYUCGDAXSAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-9-19-15(14-8-3-4-10-20-14)11-12-6-5-7-13(17)16(12)18/h3-8,10,15,19H,2,9,11H2,1H3.
What are the key properties of N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine?
N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 309.24 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 107308391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).