N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine

C17H24FN3 — CID 64768372

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCCNC(c1nccn1CC)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-5-19-15(16-20-11-12-21(16)6-2)17(3,4)13-7-9-14(18)10-8-13/h7-12,15,19H,5-6H2,1-4H3
InChIKeyRIPSVZWZNRYCNQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 64768372) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID64768372
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCCNC(c1nccn1CC)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-5-19-15(16-20-11-12-21(16)6-2)17(3,4)13-7-9-14(18)10-8-13/h7-12,15,19H,5-6H2,1-4H3
InChIKeyRIPSVZWZNRYCNQ-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (CID 64768372) is N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is CCNC(c1nccn1CC)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is RIPSVZWZNRYCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-19-15(16-20-11-12-21(16)6-2)17(3,4)13-7-9-14(18)10-8-13/h7-12,15,19H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64768372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).