2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine

C14H15Cl2N3 — CID 79172913

IUPAC2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(NCCc2ccc(Cl)cc2Cl)ncc1N
InChIInChI=1S/C14H15Cl2N3/c1-9-6-14(19-8-13(9)17)18-5-4-10-2-3-11(15)7-12(10)16/h2-3,6-8H,4-5,17H2,1H3,(H,18,19)
InChIKeyQOWSNWIXFMDQBH-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.93
Rot. Bonds4

About 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine

2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine (PubChem CID 79172913) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
PubChem CID79172913
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(NCCc2ccc(Cl)cc2Cl)ncc1N
InChIInChI=1S/C14H15Cl2N3/c1-9-6-14(19-8-13(9)17)18-5-4-10-2-3-11(15)7-12(10)16/h2-3,6-8H,4-5,17H2,1H3,(H,18,19)
InChIKeyQOWSNWIXFMDQBH-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 115147485
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
CID 28903733
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
CID 113015866

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine (CID 79172913) is 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine is Cc1cc(NCCc2ccc(Cl)cc2Cl)ncc1N.
What is the InChIKey of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
The InChIKey is QOWSNWIXFMDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-9-6-14(19-8-13(9)17)18-5-4-10-2-3-11(15)7-12(10)16/h2-3,6-8H,4-5,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine?
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine has a molecular weight of 296.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79172913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).