3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine

C13H13Cl2N3 — CID 130297463

IUPAC3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-9(10-3-5-11(14)6-4-10)18(2)13-12(15)16-7-8-17-13/h3-9H,1-2H3/t9-/m0/s1
InChIKeyXFLHXHWWEDIROD-VIFPVBQESA-N
MW282.17 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine

3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine (PubChem CID 130297463) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
PubChem CID130297463
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-9(10-3-5-11(14)6-4-10)18(2)13-12(15)16-7-8-17-13/h3-9H,1-2H3/t9-/m0/s1
InChIKeyXFLHXHWWEDIROD-VIFPVBQESA-N
XLogP3.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 126561646
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297492
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382292
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934
3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102758070
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine (CID 130297463) is 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine is C[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
The InChIKey is XFLHXHWWEDIROD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-9(10-3-5-11(14)6-4-10)18(2)13-12(15)16-7-8-17-13/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine?
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine has a molecular weight of 282.17 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 130297463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).