(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride

C16H18BrClN2 — CID 22313112

IUPAC(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl
InChIInChI=1S/C16H17BrN2.ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;/h3-10,12H,11H2,1-2H3;1H/b16-9-;
InChIKeyGELMUARXROJGSO-LFMIJCLESA-N
MW353.69 g/mol
LogP4.26
Rot. Bonds4

About (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride

(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride (PubChem CID 22313112) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride
PubChem CID22313112
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl
InChIInChI=1S/C16H17BrN2.ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;/h3-10,12H,11H2,1-2H3;1H/b16-9-;
InChIKeyGELMUARXROJGSO-LFMIJCLESA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride (CID 22313112) is (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride is CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.
What is the InChIKey of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride?
The InChIKey is GELMUARXROJGSO-LFMIJCLESA-N. The full InChI is InChI=1S/C16H17BrN2.ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;/h3-10,12H,11H2,1-2H3;1H/b16-9-;.
What are the key properties of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride?
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride has a molecular weight of 353.69 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 22313112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).