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

C16H17BrN2 — CID 12717119

IUPAC(E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1cccnc1)c1ccccc1Br
InChIInChI=1S/C16H17BrN2/c1-19(2)11-9-14(13-6-5-10-18-12-13)15-7-3-4-8-16(15)17/h3-10,12H,11H2,1-2H3/b14-9+
InChIKeyOSEDUMGOKRCANL-NTEUORMPSA-N
MW317.23 g/mol
LogP3.84
Rot. Bonds4

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

(E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 12717119) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID12717119
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name(E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1cccnc1)c1ccccc1Br
InChIInChI=1S/C16H17BrN2/c1-19(2)11-9-14(13-6-5-10-18-12-13)15-7-3-4-8-16(15)17/h3-10,12H,11H2,1-2H3/b14-9+
InChIKeyOSEDUMGOKRCANL-NTEUORMPSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (CID 12717119) is (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is CN(C)C/C=C(\c1cccnc1)c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is OSEDUMGOKRCANL-NTEUORMPSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-19(2)11-9-14(13-6-5-10-18-12-13)15-7-3-4-8-16(15)17/h3-10,12H,11H2,1-2H3/b14-9+.
What are the key properties of (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
(E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 317.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 12717119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).