3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine

C14H14Cl2FN3 — CID 102756176

IUPAC3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NCCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-18-13-11(15)8-12(16)14(20-13)19-6-5-9-3-2-4-10(17)7-9/h2-4,7-8H,5-6H2,1H3,(H2,18,19,20)
InChIKeyZHPRVLLRGDSBBC-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.22
Rot. Bonds5

About 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine (PubChem CID 102756176) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
PubChem CID102756176
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NCCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-18-13-11(15)8-12(16)14(20-13)19-6-5-9-3-2-4-10(17)7-9/h2-4,7-8H,5-6H2,1H3,(H2,18,19,20)
InChIKeyZHPRVLLRGDSBBC-UHFFFAOYSA-N
XLogP4.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
4-N-[2-(3-fluorophenyl)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 38741029
N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138476
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
2-chloro-N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697506
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
CID 114188400
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine (CID 102756176) is 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine is CNc1nc(NCCc2cccc(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is ZHPRVLLRGDSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-18-13-11(15)8-12(16)14(20-13)19-6-5-9-3-2-4-10(17)7-9/h2-4,7-8H,5-6H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 314.19 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102756176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).