(E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine

C24H24BrN — CID 6476754

IUPAC(E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(/C(=C\CN(C)C)c2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H24BrN/c1-18-4-6-21(7-5-18)24(16-17-26(2)3)22-10-8-19(9-11-22)20-12-14-23(25)15-13-20/h4-16H,17H2,1-3H3/b24-16+
InChIKeyXUUSTWLMDBKNGV-LFVJCYFKSA-N
MW406.37 g/mol
LogP6.42
Rot. Bonds5

About (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine

(E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine (PubChem CID 6476754) has the molecular formula C24H24BrN and a molecular weight of 406.37 g/mol. Its IUPAC name is (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine
PubChem CID6476754
Molecular FormulaC24H24BrN
Molecular Weight406.37 g/mol
Exact Mass405.11
IUPAC Name(E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(/C(=C\CN(C)C)c2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H24BrN/c1-18-4-6-21(7-5-18)24(16-17-26(2)3)22-10-8-19(9-11-22)20-12-14-23(25)15-13-20/h4-16H,17H2,1-3H3/b24-16+
InChIKeyXUUSTWLMDBKNGV-LFVJCYFKSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.37
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
4-Bromo-p-terphenyl
CID 11012297
4,4''-Dibromo-p-terphenyl
CID 12455998
4-Bromo-4'-pentylbiphenyl
CID 618709
(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenyl-prop-2-en-1-amine
CID 6476759
(E)-3-(4-bromophenyl)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-prop-2-en-1-amine
CID 6476760
1-(4'-Bromo-4-biphenylyl)-1-(4-chlorophenyl)-3-dimethylaminoprop-1-ene
CID 6443785
4-Bromo-4'-heptylbiphenyl
CID 618710
2-Propen-1-amine, 3-(p-bromophenyl)-N,N-dimethyl-3-phenyl-, hydrochloride
CID 6437583
3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenyl-prop-2-en-1-amine
CID 491473
3-(4-bromophenyl)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-prop-2-en-1-amine
CID 491474
(Z)-3-(4-bromophenyl)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-prop-2-en-1-amine
CID 6476750

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine (CID 6476754) is (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine is Cc1ccc(/C(=C\CN(C)C)c2ccc(-c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine?
The InChIKey is XUUSTWLMDBKNGV-LFVJCYFKSA-N. The full InChI is InChI=1S/C24H24BrN/c1-18-4-6-21(7-5-18)24(16-17-26(2)3)22-10-8-19(9-11-22)20-12-14-23(25)15-13-20/h4-16H,17H2,1-3H3/b24-16+.
What are the key properties of (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine?
(E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine has a molecular weight of 406.37 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 6476754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).