N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

C16H22FN3 — CID 66149670

IUPACN-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1C(C)c1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-12(2)8-18-9-16-10-19-11-20(16)13(3)14-5-4-6-15(17)7-14/h4-7,10-13,18H,8-9H2,1-3H3
InChIKeyFQYDORMJPZMPHG-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.38
Rot. Bonds6

About N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66149670) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66149670
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1C(C)c1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-12(2)8-18-9-16-10-19-11-20(16)13(3)14-5-4-6-15(17)7-14/h4-7,10-13,18H,8-9H2,1-3H3
InChIKeyFQYDORMJPZMPHG-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66149670) is N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1C(C)c1cccc(F)c1.
What is the InChIKey of N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FQYDORMJPZMPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12(2)8-18-9-16-10-19-11-20(16)13(3)14-5-4-6-15(17)7-14/h4-7,10-13,18H,8-9H2,1-3H3.
What are the key properties of N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66149670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).