2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

C15H20FN3 — CID 114708000

IUPAC2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CCc1ccccc1F
InChIInChI=1S/C15H20FN3/c1-15(2,17-3)14-10-18-11-19(14)9-8-12-6-4-5-7-13(12)16/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyVIHBVTTZDQRRIC-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708000) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708000
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CCc1ccccc1F
InChIInChI=1S/C15H20FN3/c1-15(2,17-3)14-10-18-11-19(14)9-8-12-6-4-5-7-13(12)16/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyVIHBVTTZDQRRIC-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10444038

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708000) is 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1CCc1ccccc1F.
What is the InChIKey of 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is VIHBVTTZDQRRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-15(2,17-3)14-10-18-11-19(14)9-8-12-6-4-5-7-13(12)16/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).