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

C16H19BrCl2N2 — CID 6436006

IUPAC(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
SMILESCN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl
InChIInChI=1S/C16H17BrN2.2ClH/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;2*1H/b16-9-;;
InChIKeyCXGURXWCQYHDIR-ULPVBNQHSA-N
MW390.15 g/mol
LogP4.68
Rot. Bonds4

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

(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride (PubChem CID 6436006) has the molecular formula C16H19BrCl2N2 and a molecular weight of 390.15 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
PubChem CID6436006
Molecular FormulaC16H19BrCl2N2
Molecular Weight390.15 g/mol
Exact Mass388.01
IUPAC Name(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
SMILESCN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl
InChIInChI=1S/C16H17BrN2.2ClH/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;2*1H/b16-9-;;
InChIKeyCXGURXWCQYHDIR-ULPVBNQHSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.15
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Brompheniramine
CID 6834
Pheniramine
CID 4761
Zimelidine
CID 5365247
Dexbrompheniramine
CID 16960
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
1-Methyl-4-phenylpyridinium
CID 39484
Nomelidine
CID 5378630
3-Hexylpyridine
CID 22766
3-Phenyl-4-propylpyridine
CID 104638
Norzimelidine
CID 6437872

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride?
The IUPAC name of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride (CID 6436006) is (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride?
The canonical SMILES for (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride is CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.
What is the InChIKey of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride?
The InChIKey is CXGURXWCQYHDIR-ULPVBNQHSA-N. The full InChI is InChI=1S/C16H17BrN2.2ClH/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;2*1H/b16-9-;;.
What are the key properties of (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride?
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride has a molecular weight of 390.15 g/mol, XLogP of 4.68, 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;dihydrochloride is sourced from PubChem (CID 6436006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).