N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine

C16H18Cl2N2 — CID 105096539

IUPACN-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1ccncc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-8-20-16(13-7-9-19-11-15(13)18)10-12-5-3-4-6-14(12)17/h3-7,9,11,16,20H,2,8,10H2,1H3
InChIKeyQAYUJUSEDBFVHE-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.67
Rot. Bonds6

About N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine

N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 105096539) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
PubChem CID105096539
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1ccncc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-8-20-16(13-7-9-19-11-15(13)18)10-12-5-3-4-6-14(12)17/h3-7,9,11,16,20H,2,8,10H2,1H3
InChIKeyQAYUJUSEDBFVHE-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-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 102619227
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 106866904
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105180389

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine (CID 105096539) is N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1ccncc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is QAYUJUSEDBFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-8-20-16(13-7-9-19-11-15(13)18)10-12-5-3-4-6-14(12)17/h3-7,9,11,16,20H,2,8,10H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-(3-chloro-4-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-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105096539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).