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

C13H11Cl3N2 — CID 79840895

IUPAC3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2/c1-8(10-3-2-9(14)6-11(10)15)18-13-4-5-17-7-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyBCRGWZHKKQFMRF-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.21
Rot. Bonds3

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

3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine (PubChem CID 79840895) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
PubChem CID79840895
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2/c1-8(10-3-2-9(14)6-11(10)15)18-13-4-5-17-7-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyBCRGWZHKKQFMRF-UHFFFAOYSA-N
XLogP5.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 105068061
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648364

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine (CID 79840895) is 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine is CC(Nc1ccncc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine?
The InChIKey is BCRGWZHKKQFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c1-8(10-3-2-9(14)6-11(10)15)18-13-4-5-17-7-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine?
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine has a molecular weight of 301.60 g/mol, XLogP of 5.21, 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-(2,4-dichlorophenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 79840895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).