(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

C15H20FN3O — CID 146512153

IUPAC(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCC1(C)CN=C(c2ccc(OC/C(=C/F)CN)cc2)N1
InChIInChI=1S/C15H20FN3O/c1-15(2)10-18-14(19-15)12-3-5-13(6-4-12)20-9-11(7-16)8-17/h3-7H,8-10,17H2,1-2H3,(H,18,19)/b11-7+
InChIKeyTVHWPVXJWJBNFI-YRNVUSSQSA-N
MW277.34 g/mol
LogP2.01
Rot. Bonds5

About (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 146512153) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID146512153
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCC1(C)CN=C(c2ccc(OC/C(=C/F)CN)cc2)N1
InChIInChI=1S/C15H20FN3O/c1-15(2)10-18-14(19-15)12-3-5-13(6-4-12)20-9-11(7-16)8-17/h3-7H,8-10,17H2,1-2H3,(H,18,19)/b11-7+
InChIKeyTVHWPVXJWJBNFI-YRNVUSSQSA-N
XLogP2.01
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 146512153) is (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is CC1(C)CN=C(c2ccc(OC/C(=C/F)CN)cc2)N1.
What is the InChIKey of (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is TVHWPVXJWJBNFI-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-15(2)10-18-14(19-15)12-3-5-13(6-4-12)20-9-11(7-16)8-17/h3-7H,8-10,17H2,1-2H3,(H,18,19)/b11-7+.
What are the key properties of (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 146512153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).