6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine

C14H15Cl2N3 — CID 80785532

IUPAC6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3/c1-17-13-3-2-4-14(19-13)18-8-7-10-5-6-11(15)9-12(10)16/h2-6,9H,7-8H2,1H3,(H2,17,18,19)
InChIKeyATICTBFPCCEDKO-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.08
Rot. Bonds5

About 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine

6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine (PubChem CID 80785532) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
PubChem CID80785532
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3/c1-17-13-3-2-4-14(19-13)18-8-7-10-5-6-11(15)9-12(10)16/h2-6,9H,7-8H2,1H3,(H2,17,18,19)
InChIKeyATICTBFPCCEDKO-UHFFFAOYSA-N
XLogP4.08
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886247
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888143
5-bromo-4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786471
4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde
CID 86615710

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine (CID 80785532) is 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine is CNc1cccc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is ATICTBFPCCEDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-17-13-3-2-4-14(19-13)18-8-7-10-5-6-11(15)9-12(10)16/h2-6,9H,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 296.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80785532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).