(E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine

C15H17F2N3 — CID 69175791

IUPAC(E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine
SMILESC/C(=C\c1ccc(F)cc1F)CNCc1nccn1C
InChIInChI=1S/C15H17F2N3/c1-11(7-12-3-4-13(16)8-14(12)17)9-18-10-15-19-5-6-20(15)2/h3-8,18H,9-10H2,1-2H3/b11-7+
InChIKeyXNHBJDGNSCOBCR-YRNVUSSQSA-N
MW277.32 g/mol
LogP2.89
Rot. Bonds5

About (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine

(E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine (PubChem CID 69175791) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine
PubChem CID69175791
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine
SMILESC/C(=C\c1ccc(F)cc1F)CNCc1nccn1C
InChIInChI=1S/C15H17F2N3/c1-11(7-12-3-4-13(16)8-14(12)17)9-18-10-15-19-5-6-20(15)2/h3-8,18H,9-10H2,1-2H3/b11-7+
InChIKeyXNHBJDGNSCOBCR-YRNVUSSQSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine (CID 69175791) is (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine is C/C(=C\c1ccc(F)cc1F)CNCc1nccn1C.
What is the InChIKey of (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is XNHBJDGNSCOBCR-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-11(7-12-3-4-13(16)8-14(12)17)9-18-10-15-19-5-6-20(15)2/h3-8,18H,9-10H2,1-2H3/b11-7+.
What are the key properties of (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine?
(E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 277.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-difluorophenyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 69175791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).