N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine

C13H13Cl2N3 — CID 62537896

IUPACN-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1cnccn1
InChIInChI=1S/C13H13Cl2N3/c1-2-17-13(12-8-16-5-6-18-12)9-3-4-10(14)11(15)7-9/h3-8,13,17H,2H2,1H3
InChIKeyAXURUKMWDYDVRS-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.48
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 62537896) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID62537896
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1cnccn1
InChIInChI=1S/C13H13Cl2N3/c1-2-17-13(12-8-16-5-6-18-12)9-3-4-10(14)11(15)7-9/h3-8,13,17H,2H2,1H3
InChIKeyAXURUKMWDYDVRS-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860556
N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860322
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 107993288
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine (CID 62537896) is N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)c1cnccn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is AXURUKMWDYDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-17-13(12-8-16-5-6-18-12)9-3-4-10(14)11(15)7-9/h3-8,13,17H,2H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 282.17 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 62537896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).