N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine

C16H18Cl2N2 — CID 103444831

IUPACN-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1ncccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-8-19-15(16-14(18)7-4-9-20-16)11-12-5-3-6-13(17)10-12/h3-7,9-10,15,19H,2,8,11H2,1H3
InChIKeyCWAZKTISJKGDGJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.67
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 103444831) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
PubChem CID103444831
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1ncccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-8-19-15(16-14(18)7-4-9-20-16)11-12-5-3-6-13(17)10-12/h3-7,9-10,15,19H,2,8,11H2,1H3
InChIKeyCWAZKTISJKGDGJ-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

1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103444850
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine (CID 103444831) is N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)c1ncccc1Cl.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is CWAZKTISJKGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-8-19-15(16-14(18)7-4-9-20-16)11-12-5-3-6-13(17)10-12/h3-7,9-10,15,19H,2,8,11H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]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-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 103444831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).