N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine

C15H18FN3 — CID 106576833

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C15H18FN3/c1-4-8-19-9-7-17-15(19)18-12(3)13-6-5-11(2)14(16)10-13/h4-7,9-10,12H,1,8H2,2-3H3,(H,17,18)
InChIKeyVXZNMOWZXBDDKR-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine (PubChem CID 106576833) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine
PubChem CID106576833
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C15H18FN3/c1-4-8-19-9-7-17-15(19)18-12(3)13-6-5-11(2)14(16)10-13/h4-7,9-10,12H,1,8H2,2-3H3,(H,17,18)
InChIKeyVXZNMOWZXBDDKR-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine (CID 106576833) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NC(C)c1ccc(C)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine?
The InChIKey is VXZNMOWZXBDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-4-8-19-9-7-17-15(19)18-12(3)13-6-5-11(2)14(16)10-13/h4-7,9-10,12H,1,8H2,2-3H3,(H,17,18).
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106576833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).