6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine

C13H14ClN3 — CID 80646586

IUPAC6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
SMILESCC(Nc1cccc(N)n1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-9(10-4-2-5-11(14)8-10)16-13-7-3-6-12(15)17-13/h2-9H,1H3,(H3,15,16,17)
InChIKeyXNBAVWMUTGBBCJ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.49
Rot. Bonds3

About 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine

6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine (PubChem CID 80646586) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
PubChem CID80646586
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
SMILESCC(Nc1cccc(N)n1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-9(10-4-2-5-11(14)8-10)16-13-7-3-6-12(15)17-13/h2-9H,1H3,(H3,15,16,17)
InChIKeyXNBAVWMUTGBBCJ-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359303
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450
2-N-[1-(3-chlorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80802264
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
6-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,6-diamine
CID 106215688
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 115416691
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine (CID 80646586) is 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine is CC(Nc1cccc(N)n1)c1cccc(Cl)c1.
What is the InChIKey of 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine?
The InChIKey is XNBAVWMUTGBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9(10-4-2-5-11(14)8-10)16-13-7-3-6-12(15)17-13/h2-9H,1H3,(H3,15,16,17).
What are the key properties of 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine?
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine has a molecular weight of 247.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 80646586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).