3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine

C15H18FN3 — CID 122552999

IUPAC3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
SMILESNCCCC1CC1c1cn(-c2cccc(F)c2)cn1
InChIInChI=1S/C15H18FN3/c16-12-4-1-5-13(8-12)19-9-15(18-10-19)14-7-11(14)3-2-6-17/h1,4-5,8-11,14H,2-3,6-7,17H2
InChIKeyVHMCDAVZHZTNPE-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.85
Rot. Bonds5

About 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine

3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine (PubChem CID 122552999) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
PubChem CID122552999
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
SMILESNCCCC1CC1c1cn(-c2cccc(F)c2)cn1
InChIInChI=1S/C15H18FN3/c16-12-4-1-5-13(8-12)19-9-15(18-10-19)14-7-11(14)3-2-6-17/h1,4-5,8-11,14H,2-3,6-7,17H2
InChIKeyVHMCDAVZHZTNPE-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
The IUPAC name of 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine (CID 122552999) is 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine.
What is the SMILES notation for 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
The canonical SMILES for 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine is NCCCC1CC1c1cn(-c2cccc(F)c2)cn1.
What is the InChIKey of 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
The InChIKey is VHMCDAVZHZTNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-12-4-1-5-13(8-12)19-9-15(18-10-19)14-7-11(14)3-2-6-17/h1,4-5,8-11,14H,2-3,6-7,17H2.
What are the key properties of 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine is sourced from PubChem (CID 122552999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).