2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

C12H13F2N3 — CID 82818219

IUPAC2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2c(F)ccc(C)c2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-7-3-4-10(13)12(11(7)14)16-6-9-5-15-8(2)17-9/h3-5,16H,6H2,1-2H3,(H,15,17)
InChIKeyQPHGNIICASACMF-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.92
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (PubChem CID 82818219) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
PubChem CID82818219
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2c(F)ccc(C)c2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-7-3-4-10(13)12(11(7)14)16-6-9-5-15-8(2)17-9/h3-5,16H,6H2,1-2H3,(H,15,17)
InChIKeyQPHGNIICASACMF-UHFFFAOYSA-N
XLogP2.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 65467186
4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743265
2-[(2,6-difluoro-3-methylanilino)methyl]phenol
CID 82815772
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
3-fluoro-4-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 55114838
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62742684
2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline
CID 82816076
4-methyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzonitrile
CID 55114175
2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 82818939
4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62742136
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (CID 82818219) is 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is Cc1ncc(CNc2c(F)ccc(C)c2F)[nH]1.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The InChIKey is QPHGNIICASACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-3-4-10(13)12(11(7)14)16-6-9-5-15-8(2)17-9/h3-5,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline has a molecular weight of 237.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is sourced from PubChem (CID 82818219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).