(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride

C18H22ClN — CID 57400895

IUPAC(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride
SMILESC/C(=C\CN(C)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-16(18-11-7-4-8-12-18)13-14-19(2)15-17-9-5-3-6-10-17;/h3-13H,14-15H2,1-2H3;1H/b16-13+;
InChIKeyXILJQLZTFRUGEN-ZUQRMPMESA-N
MW287.83 g/mol
LogP4.64
Rot. Bonds5

About (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride

(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride (PubChem CID 57400895) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride
PubChem CID57400895
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride
SMILESC/C(=C\CN(C)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-16(18-11-7-4-8-12-18)13-14-19(2)15-17-9-5-3-6-10-17;/h3-13H,14-15H2,1-2H3;1H/b16-13+;
InChIKeyXILJQLZTFRUGEN-ZUQRMPMESA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride (CID 57400895) is (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride is C/C(=C\CN(C)Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride?
The InChIKey is XILJQLZTFRUGEN-ZUQRMPMESA-N. The full InChI is InChI=1S/C18H21N.ClH/c1-16(18-11-7-4-8-12-18)13-14-19(2)15-17-9-5-3-6-10-17;/h3-13H,14-15H2,1-2H3;1H/b16-13+;.
What are the key properties of (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride?
(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 57400895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).