(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride

C17H19BrClN — CID 6437583

IUPAC(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(\c1ccccc1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H18BrN.ClH/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-12H,13H2,1-2H3;1H/b17-12+;
InChIKeyBHECBLIRYXAYDD-KCUXUEJTSA-N
MW352.70 g/mol
LogP4.86
Rot. Bonds4

About (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride

(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 6437583) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID6437583
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(\c1ccccc1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H18BrN.ClH/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-12H,13H2,1-2H3;1H/b17-12+;
InChIKeyBHECBLIRYXAYDD-KCUXUEJTSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 6437583) is (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride is CN(C)C/C=C(\c1ccccc1)c1ccc(Br)cc1.Cl.
What is the InChIKey of (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is BHECBLIRYXAYDD-KCUXUEJTSA-N. The full InChI is InChI=1S/C17H18BrN.ClH/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-12H,13H2,1-2H3;1H/b17-12+;.
What are the key properties of (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 352.70 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6437583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).