(3-fluoro-4-imidazol-1-ylphenyl)methanamine

C10H10FN3 — CID 22693590

IUPAC(3-fluoro-4-imidazol-1-ylphenyl)methanamine
SMILESNCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C10H10FN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKeyJUTIXVFSGDRBRN-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.47
Rot. Bonds2

About (3-fluoro-4-imidazol-1-ylphenyl)methanamine

(3-fluoro-4-imidazol-1-ylphenyl)methanamine (PubChem CID 22693590) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is (3-fluoro-4-imidazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-imidazol-1-ylphenyl)methanamine
PubChem CID22693590
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name(3-fluoro-4-imidazol-1-ylphenyl)methanamine
SMILESNCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C10H10FN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKeyJUTIXVFSGDRBRN-UHFFFAOYSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-imidazol-1-ylphenyl)methanamine?
The IUPAC name of (3-fluoro-4-imidazol-1-ylphenyl)methanamine (CID 22693590) is (3-fluoro-4-imidazol-1-ylphenyl)methanamine.
What is the SMILES notation for (3-fluoro-4-imidazol-1-ylphenyl)methanamine?
The canonical SMILES for (3-fluoro-4-imidazol-1-ylphenyl)methanamine is NCc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of (3-fluoro-4-imidazol-1-ylphenyl)methanamine?
The InChIKey is JUTIXVFSGDRBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2.
What are the key properties of (3-fluoro-4-imidazol-1-ylphenyl)methanamine?
(3-fluoro-4-imidazol-1-ylphenyl)methanamine has a molecular weight of 191.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-imidazol-1-ylphenyl)methanamine is sourced from PubChem (CID 22693590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).