N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

C16H20FN3 — CID 106883536

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H20FN3/c1-5-18-16(14-9-19-12(4)8-20-14)15-11(3)6-10(2)7-13(15)17/h6-9,16,18H,5H2,1-4H3
InChIKeyTYQNDSLDSSVTNR-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.24
Rot. Bonds4

About N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 106883536) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID106883536
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H20FN3/c1-5-18-16(14-9-19-12(4)8-20-14)15-11(3)6-10(2)7-13(15)17/h6-9,16,18H,5H2,1-4H3
InChIKeyTYQNDSLDSSVTNR-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106881613
N-[(3-bromo-2,6-difluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106944465
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 106883667
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021
N-[(2-fluoro-4,6-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106883993
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (CID 106883536) is N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is CCNC(c1cnc(C)cn1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is TYQNDSLDSSVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-5-18-16(14-9-19-12(4)8-20-14)15-11(3)6-10(2)7-13(15)17/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 273.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106883536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).