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

C13H12Cl2N2 — CID 79769972

IUPAC3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-9(10-4-2-3-5-11(10)14)17-13-6-7-16-8-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyCMCNQETYMAOEGZ-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.56
Rot. Bonds3

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

3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine (PubChem CID 79769972) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
PubChem CID79769972
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-9(10-4-2-3-5-11(10)14)17-13-6-7-16-8-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyCMCNQETYMAOEGZ-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81238108
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine (CID 79769972) is 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine is CC(Nc1ccncc1Cl)c1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine?
The InChIKey is CMCNQETYMAOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-9(10-4-2-3-5-11(10)14)17-13-6-7-16-8-12(13)15/h2-9H,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine?
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine has a molecular weight of 267.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 79769972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).