(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine

C15H15BrN2 — CID 5378630

IUPAC(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCNC/C=C(/c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8-
InChIKeyAZFZKANGXPSDEA-NVNXTCNLSA-N
MW303.20 g/mol
LogP3.50
Rot. Bonds4

About (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine

(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 5378630) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID5378630
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCNC/C=C(/c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8-
InChIKeyAZFZKANGXPSDEA-NVNXTCNLSA-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 (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine (CID 5378630) is (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine is CNC/C=C(/c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is AZFZKANGXPSDEA-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8-.
What are the key properties of (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
(Z)-3-(4-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 (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 5378630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).