3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine

C13H16FN3 — CID 116877072

IUPAC3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C13H16FN3/c1-9(7-15)6-13-16-8-12(17-13)10-4-2-3-5-11(10)14/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyJJZWYLPZCRXOGP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.35
Rot. Bonds4

About 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine

3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 116877072) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
PubChem CID116877072
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C13H16FN3/c1-9(7-15)6-13-16-8-12(17-13)10-4-2-3-5-11(10)14/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyJJZWYLPZCRXOGP-UHFFFAOYSA-N
XLogP2.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877050
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65232799
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-phenylethanamine
CID 43651627
2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877075
2-methyl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877077
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878816
5-(2-fluorophenyl)-2-methoxy-1H-imidazole
CID 116883763
2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116877030
3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
CID 178183717
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116883535
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934
1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
CID 43651692

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 116877072) is 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is CC(CN)Cc1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is JJZWYLPZCRXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(7-15)6-13-16-8-12(17-13)10-4-2-3-5-11(10)14/h2-5,8-9H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116877072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).