2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C12H13F2N3 — CID 82818939

IUPAC2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCc1ccc(F)c(NCc2nccn2C)c1F
InChIInChI=1S/C12H13F2N3/c1-8-3-4-9(13)12(11(8)14)16-7-10-15-5-6-17(10)2/h3-6,16H,7H2,1-2H3
InChIKeyVNGUJGIHKXSQRR-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.62
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 82818939) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID82818939
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCc1ccc(F)c(NCc2nccn2C)c1F
InChIInChI=1S/C12H13F2N3/c1-8-3-4-9(13)12(11(8)14)16-7-10-15-5-6-17(10)2/h3-6,16H,7H2,1-2H3
InChIKeyVNGUJGIHKXSQRR-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088087
4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295828
2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 55058112
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,6-difluoro-3-methylaniline
CID 83089818
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 106263450
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 82818939) is 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is Cc1ccc(F)c(NCc2nccn2C)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is VNGUJGIHKXSQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-8-3-4-9(13)12(11(8)14)16-7-10-15-5-6-17(10)2/h3-6,16H,7H2,1-2H3.
What are the key properties of 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 237.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 82818939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).