N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine

C16H19F2N3 — CID 105117344

IUPACN-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)c1cnc(C)cn1
InChIInChI=1S/C16H19F2N3/c1-3-6-19-15(16-10-20-11(2)9-21-16)7-12-4-5-13(17)8-14(12)18/h4-5,8-10,15,19H,3,6-7H2,1-2H3
InChIKeyFMWWZQQBOJFNBQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.35
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 105117344) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID105117344
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)c1cnc(C)cn1
InChIInChI=1S/C16H19F2N3/c1-3-6-19-15(16-10-20-11(2)9-21-16)7-12-4-5-13(17)8-14(12)18/h4-5,8-10,15,19H,3,6-7H2,1-2H3
InChIKeyFMWWZQQBOJFNBQ-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105105691
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-[2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360793
[2-(4-chloro-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105342735
N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105089075
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
CID 105156337
2-(2,5-dimethylphenyl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105101215
[2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105297058
N-[2-(4-chloro-2-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 114856789
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 105117344) is N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)c1cnc(C)cn1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is FMWWZQQBOJFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-3-6-19-15(16-10-20-11(2)9-21-16)7-12-4-5-13(17)8-14(12)18/h4-5,8-10,15,19H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 291.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105117344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).