(5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine

C14H20FN3 — CID 25102559

IUPAC(5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCc1cccc(F)c1
InChIInChI=1S/C14H20FN3/c1-11-10-16-14(17(2)3)18(11)8-7-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyXSIYLSMMZJVFHW-NSHDSACASA-N
MW249.33 g/mol
LogP1.99
Rot. Bonds3

About (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine

(5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102559) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102559
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name(5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCc1cccc(F)c1
InChIInChI=1S/C14H20FN3/c1-11-10-16-14(17(2)3)18(11)8-7-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyXSIYLSMMZJVFHW-NSHDSACASA-N
XLogP1.99
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine (CID 25102559) is (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N(C)C)N1CCc1cccc(F)c1.
What is the InChIKey of (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XSIYLSMMZJVFHW-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FN3/c1-11-10-16-14(17(2)3)18(11)8-7-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 249.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(3-fluorophenyl)ethyl]-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).