3-(4-Bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-amine

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Basic information

Standard SMILES: CN(C)CC=C(c1ccc(Br)cc1)c1cccnc1
InChIKey: OYPPVKRFBIWMSX-UHFFFAOYSA-N
Molecular formula: C16H17BrN2
Average molar mass: 317.22 g/mol
Monoisotopic mass: 316.05751

Names & identifiers

Preferred name: 3-(4-Bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-amine
IUPAC: 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

Names & synonyms

DTXSID808607053-(4-bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-amineRefChem:274426DTXCID20810209NOCAS_860705Zimeldine-d6A23140NSC3053523-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-aminePrestwick0_000092Prestwick1_000092NCIStruc1_001846

Show more names

NCIStruc2_001359SCHEMBL145093SPBio_001983OYPPVKRFBIWMSX-UHFFFAOYSA-N1185239-75-1KXB23975NCI60_002580Q27164583

Database identifiers

PubChem CID: 41987
DTXSID: DTXSID80860705

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 16.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 293

Related reactions

2 records

New reaction record

HRID 1855816As productuspto-grants-1980_08

HRID 2341352As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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