(E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride

C24H26ClN — CID 57393932

IUPAC(E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride
SMILESC/C(=C\CN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C24H25N.ClH/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23;/h3-17H,18-19H2,1-2H3;1H/b20-17+;
InChIKeyUYUDGBJFTJBUSJ-SJEOTZHBSA-N
MW363.93 g/mol
LogP6.31
Rot. Bonds6

About (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride

(E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride (PubChem CID 57393932) has the molecular formula C24H26ClN and a molecular weight of 363.93 g/mol. Its IUPAC name is (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride
PubChem CID57393932
Molecular FormulaC24H26ClN
Molecular Weight363.93 g/mol
Exact Mass363.18
IUPAC Name(E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride
SMILESC/C(=C\CN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C24H25N.ClH/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23;/h3-17H,18-19H2,1-2H3;1H/b20-17+;
InChIKeyUYUDGBJFTJBUSJ-SJEOTZHBSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.93
LogP ≤ 56.31
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-(4-phenylphenyl)but-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride (CID 57393932) is (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride is C/C(=C\CN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride?
The InChIKey is UYUDGBJFTJBUSJ-SJEOTZHBSA-N. The full InChI is InChI=1S/C24H25N.ClH/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23;/h3-17H,18-19H2,1-2H3;1H/b20-17+;.
What are the key properties of (E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride?
(E)-N-benzyl-N-methyl-3-(4-phenylphenyl)but-2-en-1-amine;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 6.31, 6 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-(4-phenylphenyl)but-2-en-1-amine;hydrochloride is sourced from PubChem (CID 57393932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).