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

C16H22FN3 — CID 66147953

IUPACN-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1CCc1ccccc1F
InChIInChI=1S/C16H22FN3/c1-16(2,3)19-11-14-10-18-12-20(14)9-8-13-6-4-5-7-15(13)17/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyBOABIYIFKSGKRU-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.15
Rot. Bonds5

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

N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66147953) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66147953
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1CCc1ccccc1F
InChIInChI=1S/C16H22FN3/c1-16(2,3)19-11-14-10-18-12-20(14)9-8-13-6-4-5-7-15(13)17/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyBOABIYIFKSGKRU-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66147953) is N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1CCc1ccccc1F.
What is the InChIKey of N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BOABIYIFKSGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-16(2,3)19-11-14-10-18-12-20(14)9-8-13-6-4-5-7-15(13)17/h4-7,10,12,19H,8-9,11H2,1-3H3.
What are the key properties of N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66147953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).