(E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine

C19H20FN — CID 143835489

IUPAC(E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine
SMILESC=CN/C=C(\C)C(c1ccccc1)c1cccc(C)c1F
InChIInChI=1S/C19H20FN/c1-4-21-13-15(3)18(16-10-6-5-7-11-16)17-12-8-9-14(2)19(17)20/h4-13,18,21H,1H2,2-3H3/b15-13+
InChIKeyMKOVFGJTCXZLGL-FYWRMAATSA-N
MW281.37 g/mol
LogP4.90
Rot. Bonds5

About (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine

(E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine (PubChem CID 143835489) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine
PubChem CID143835489
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC Name(E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine
SMILESC=CN/C=C(\C)C(c1ccccc1)c1cccc(C)c1F
InChIInChI=1S/C19H20FN/c1-4-21-13-15(3)18(16-10-6-5-7-11-16)17-12-8-9-14(2)19(17)20/h4-13,18,21H,1H2,2-3H3/b15-13+
InChIKeyMKOVFGJTCXZLGL-FYWRMAATSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine?
The IUPAC name of (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine (CID 143835489) is (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine?
The canonical SMILES for (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine is C=CN/C=C(\C)C(c1ccccc1)c1cccc(C)c1F.
What is the InChIKey of (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine?
The InChIKey is MKOVFGJTCXZLGL-FYWRMAATSA-N. The full InChI is InChI=1S/C19H20FN/c1-4-21-13-15(3)18(16-10-6-5-7-11-16)17-12-8-9-14(2)19(17)20/h4-13,18,21H,1H2,2-3H3/b15-13+.
What are the key properties of (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine?
(E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine has a molecular weight of 281.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-(2-fluoro-3-methylphenyl)-2-methyl-3-phenylprop-1-en-1-amine is sourced from PubChem (CID 143835489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).