4-(4-bromophenyl)-N-methylaniline

C13H12BrN — CID 15622586

IUPAC4-(4-bromophenyl)-N-methylaniline
SMILESCNc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrN/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,15H,1H3
InChIKeyWLIYEANDXDNXHV-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.16
Rot. Bonds2

About 4-(4-bromophenyl)-N-methylaniline

4-(4-bromophenyl)-N-methylaniline (PubChem CID 15622586) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-methylaniline
PubChem CID15622586
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name4-(4-bromophenyl)-N-methylaniline
SMILESCNc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrN/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,15H,1H3
InChIKeyWLIYEANDXDNXHV-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-methylaniline?
The IUPAC name of 4-(4-bromophenyl)-N-methylaniline (CID 15622586) is 4-(4-bromophenyl)-N-methylaniline.
What is the SMILES notation for 4-(4-bromophenyl)-N-methylaniline?
The canonical SMILES for 4-(4-bromophenyl)-N-methylaniline is CNc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-methylaniline?
The InChIKey is WLIYEANDXDNXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,15H,1H3.
What are the key properties of 4-(4-bromophenyl)-N-methylaniline?
4-(4-bromophenyl)-N-methylaniline has a molecular weight of 262.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-methylaniline is sourced from PubChem (CID 15622586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).