4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline

C12H14FN3 — CID 167757454

IUPAC4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2ccc(F)cc2C)[nH]1
InChIInChI=1S/C12H14FN3/c1-8-5-10(13)3-4-11(8)14-7-12-15-6-9(2)16-12/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyFGNXNTXGPSNJQN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.78
Rot. Bonds3

About 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline

4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline (PubChem CID 167757454) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline
PubChem CID167757454
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2ccc(F)cc2C)[nH]1
InChIInChI=1S/C12H14FN3/c1-8-5-10(13)3-4-11(8)14-7-12-15-6-9(2)16-12/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyFGNXNTXGPSNJQN-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 62761968
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
4-fluoro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115685525
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline (CID 167757454) is 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline is Cc1cnc(CNc2ccc(F)cc2C)[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline?
The InChIKey is FGNXNTXGPSNJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-5-10(13)3-4-11(8)14-7-12-15-6-9(2)16-12/h3-6,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline?
4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline has a molecular weight of 219.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline is sourced from PubChem (CID 167757454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).