1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine

C16H13F2N3 — CID 107357086

IUPAC1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13F2N3/c1-19-16(10-6-11(17)8-12(18)7-10)15-9-20-13-4-2-3-5-14(13)21-15/h2-9,16,19H,1H3
InChIKeySQKYMJYQKWHBQC-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.22
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine

1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine (PubChem CID 107357086) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
PubChem CID107357086
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13F2N3/c1-19-16(10-6-11(17)8-12(18)7-10)15-9-20-13-4-2-3-5-14(13)21-15/h2-9,16,19H,1H3
InChIKeySQKYMJYQKWHBQC-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356945
1-(2,3-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357167
1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356903
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222854
[(3,4-difluorophenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357865
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
1-(3,5-difluorophenyl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 63948041
N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine
CID 107357254
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357474
N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
CID 107356920

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine (CID 107357086) is 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine is CNC(c1cc(F)cc(F)c1)c1cnc2ccccc2n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The InChIKey is SQKYMJYQKWHBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-19-16(10-6-11(17)8-12(18)7-10)15-9-20-13-4-2-3-5-14(13)21-15/h2-9,16,19H,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine has a molecular weight of 285.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107357086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).