5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C12H14FN3 — CID 43088087

IUPAC5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCc1ccc(F)cc1NCc1nccn1C
InChIInChI=1S/C12H14FN3/c1-9-3-4-10(13)7-11(9)15-8-12-14-5-6-16(12)2/h3-7,15H,8H2,1-2H3
InChIKeyJVXHWFNROCRMOZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43088087) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43088087
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCc1ccc(F)cc1NCc1nccn1C
InChIInChI=1S/C12H14FN3/c1-9-3-4-10(13)7-11(9)15-8-12-14-5-6-16(12)2/h3-7,15H,8H2,1-2H3
InChIKeyJVXHWFNROCRMOZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-fluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62356406
5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 122159779
2,6-difluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 82818939
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
2,3-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 138489685
3-fluoro-5-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 113256882
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 114002963
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 43088087) is 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is Cc1ccc(F)cc1NCc1nccn1C.
What is the InChIKey of 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is JVXHWFNROCRMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-3-4-10(13)7-11(9)15-8-12-14-5-6-16(12)2/h3-7,15H,8H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 219.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43088087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).