(E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine

C15H15BrN2 — CID 12930058

IUPAC(E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCNC/C=C(\c1cccnc1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2/c1-17-10-8-13(12-5-4-9-18-11-12)14-6-2-3-7-15(14)16/h2-9,11,17H,10H2,1H3/b13-8+
InChIKeyWPUJWWMAAZVULK-MDWZMJQESA-N
MW303.20 g/mol
LogP3.50
Rot. Bonds4

About (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine

(E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 12930058) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID12930058
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name(E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCNC/C=C(\c1cccnc1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2/c1-17-10-8-13(12-5-4-9-18-11-12)14-6-2-3-7-15(14)16/h2-9,11,17H,10H2,1H3/b13-8+
InChIKeyWPUJWWMAAZVULK-MDWZMJQESA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine (CID 12930058) is (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine is CNC/C=C(\c1cccnc1)c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is WPUJWWMAAZVULK-MDWZMJQESA-N. The full InChI is InChI=1S/C15H15BrN2/c1-17-10-8-13(12-5-4-9-18-11-12)14-6-2-3-7-15(14)16/h2-9,11,17H,10H2,1H3/b13-8+.
What are the key properties of (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
(E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 303.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 12930058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).