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

C11H11F2N3 — CID 43088131

IUPAC2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1c(F)cccc1F
InChIInChI=1S/C11H11F2N3/c1-16-6-5-14-10(16)7-15-11-8(12)3-2-4-9(11)13/h2-6,15H,7H2,1H3
InChIKeyVEBLECPPPOMAJI-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.31
Rot. Bonds3

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

2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43088131) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43088131
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1c(F)cccc1F
InChIInChI=1S/C11H11F2N3/c1-16-6-5-14-10(16)7-15-11-8(12)3-2-4-9(11)13/h2-6,15H,7H2,1H3
InChIKeyVEBLECPPPOMAJI-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 82818939
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295828
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 43088131) is 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1CNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is VEBLECPPPOMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-6-5-14-10(16)7-15-11-8(12)3-2-4-9(11)13/h2-6,15H,7H2,1H3.
What are the key properties of 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline?
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 223.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43088131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).