N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine

C13H12ClF2N3 — CID 115860322

IUPACN-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H12ClF2N3/c1-2-18-13(12-7-17-3-4-19-12)8-5-11(16)9(14)6-10(8)15/h3-7,13,18H,2H2,1H3
InChIKeyGTGDRNSVICLPFI-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.11
Rot. Bonds4

About N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 115860322) has the molecular formula C13H12ClF2N3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID115860322
Molecular FormulaC13H12ClF2N3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H12ClF2N3/c1-2-18-13(12-7-17-3-4-19-12)8-5-11(16)9(14)6-10(8)15/h3-7,13,18H,2H2,1H3
InChIKeyGTGDRNSVICLPFI-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 107993288
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(4-chloro-2,5-difluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 82782197
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561868
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine (CID 115860322) is N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is GTGDRNSVICLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3/c1-2-18-13(12-7-17-3-4-19-12)8-5-11(16)9(14)6-10(8)15/h3-7,13,18H,2H2,1H3.
What are the key properties of N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 283.71 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 115860322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).