5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine

C16H19Cl2N3 — CID 62890794

IUPAC5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H19Cl2N3/c1-3-19-16-8-7-14(18)15(20-16)11-21(2)10-12-5-4-6-13(17)9-12/h4-9H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyMZCRYOGBCDKTFG-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.45
Rot. Bonds6

About 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine

5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine (PubChem CID 62890794) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
PubChem CID62890794
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H19Cl2N3/c1-3-19-16-8-7-14(18)15(20-16)11-21(2)10-12-5-4-6-13(17)9-12/h4-9H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyMZCRYOGBCDKTFG-UHFFFAOYSA-N
XLogP4.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 63487103
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine
CID 63501225
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 55127729
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62890809
3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile
CID 133309541
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine (CID 62890794) is 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CN(C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is MZCRYOGBCDKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-3-19-16-8-7-14(18)15(20-16)11-21(2)10-12-5-4-6-13(17)9-12/h4-9H,3,10-11H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 324.26 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62890794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).