N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine

C13H13ClFN3 — CID 64713471

IUPACN-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cccc(Cl)c1F
InChIInChI=1S/C13H13ClFN3/c1-2-17-13(11-8-16-6-7-18-11)9-4-3-5-10(14)12(9)15/h3-8,13,17H,2H2,1H3
InChIKeyYECFGINEXWENSJ-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.97
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 64713471) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID64713471
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC NameN-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cccc(Cl)c1F
InChIInChI=1S/C13H13ClFN3/c1-2-17-13(11-8-16-6-7-18-11)9-4-3-5-10(14)12(9)15/h3-8,13,17H,2H2,1H3
InChIKeyYECFGINEXWENSJ-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860322
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine (CID 64713471) is N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is YECFGINEXWENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-2-17-13(11-8-16-6-7-18-11)9-4-3-5-10(14)12(9)15/h3-8,13,17H,2H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 265.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 64713471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).