N-[4-(4-bromophenyl)phenyl]-4-methylaniline

C19H16BrN — CID 10246492

IUPACN-[4-(4-bromophenyl)phenyl]-4-methylaniline
SMILESCc1ccc(Nc2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H16BrN/c1-14-2-10-18(11-3-14)21-19-12-6-16(7-13-19)15-4-8-17(20)9-5-15/h2-13,21H,1H3
InChIKeyRQAIUQCLFPYQPN-UHFFFAOYSA-N
MW338.25 g/mol
LogP6.17
Rot. Bonds3

About N-[4-(4-bromophenyl)phenyl]-4-methylaniline

N-[4-(4-bromophenyl)phenyl]-4-methylaniline (PubChem CID 10246492) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-4-methylaniline
PubChem CID10246492
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC NameN-[4-(4-bromophenyl)phenyl]-4-methylaniline
SMILESCc1ccc(Nc2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H16BrN/c1-14-2-10-18(11-3-14)21-19-12-6-16(7-13-19)15-4-8-17(20)9-5-15/h2-13,21H,1H3
InChIKeyRQAIUQCLFPYQPN-UHFFFAOYSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-4-methylaniline?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-4-methylaniline (CID 10246492) is N-[4-(4-bromophenyl)phenyl]-4-methylaniline.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-4-methylaniline?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-4-methylaniline is Cc1ccc(Nc2ccc(-c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-4-methylaniline?
The InChIKey is RQAIUQCLFPYQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN/c1-14-2-10-18(11-3-14)21-19-12-6-16(7-13-19)15-4-8-17(20)9-5-15/h2-13,21H,1H3.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-4-methylaniline?
N-[4-(4-bromophenyl)phenyl]-4-methylaniline has a molecular weight of 338.25 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)phenyl]-4-methylaniline is sourced from PubChem (CID 10246492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).