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

C13H12Cl2N2 — CID 55214934

IUPAC6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
SMILESClc1ccc(CCNc2cccc(Cl)n2)cc1
InChIInChI=1S/C13H12Cl2N2/c14-11-6-4-10(5-7-11)8-9-16-13-3-1-2-12(15)17-13/h1-7H,8-9H2,(H,16,17)
InChIKeySJPBGGCMIACMLO-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.04
Rot. Bonds4

About 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine

6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine (PubChem CID 55214934) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
PubChem CID55214934
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
SMILESClc1ccc(CCNc2cccc(Cl)n2)cc1
InChIInChI=1S/C13H12Cl2N2/c14-11-6-4-10(5-7-11)8-9-16-13-3-1-2-12(15)17-13/h1-7H,8-9H2,(H,16,17)
InChIKeySJPBGGCMIACMLO-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(4-nitrophenyl)ethyl]pyridin-2-amine
CID 106194233
N'-(6-chloro-2-pyridinyl)butane-1,4-diamine
CID 117097392
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
CID 79826434
6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
CID 101398050
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106405558
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197039
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
4-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)pyrimidine-2,4-diamine
CID 90189428

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine (CID 55214934) is 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine is Clc1ccc(CCNc2cccc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
The InChIKey is SJPBGGCMIACMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-11-6-4-10(5-7-11)8-9-16-13-3-1-2-12(15)17-13/h1-7H,8-9H2,(H,16,17).
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine?
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine has a molecular weight of 267.16 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 55214934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).