N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine

C15H18FN3 — CID 133468439

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC(C)Cc2ccccc2F)n1
InChIInChI=1S/C15H18FN3/c1-10(8-13-6-4-5-7-14(13)16)18-15-12(3)17-9-11(2)19-15/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyRXBRPIWSAPMCHH-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine

N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine (PubChem CID 133468439) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine
PubChem CID133468439
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC(C)Cc2ccccc2F)n1
InChIInChI=1S/C15H18FN3/c1-10(8-13-6-4-5-7-14(13)16)18-15-12(3)17-9-11(2)19-15/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyRXBRPIWSAPMCHH-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
3,6-dimethyl-N-[1-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 60703972
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
1-(2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 114829687
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine (CID 133468439) is N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NC(C)Cc2ccccc2F)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is RXBRPIWSAPMCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10(8-13-6-4-5-7-14(13)16)18-15-12(3)17-9-11(2)19-15/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine?
N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 133468439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).