N-(4-bromophenyl)-3-methoxyaniline

C13H12BrNO — CID 54467433

IUPACN-(4-bromophenyl)-3-methoxyaniline
SMILESCOc1cccc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H12BrNO/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,1H3
InChIKeyXFXLFWLJUKHGMS-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.20
Rot. Bonds3

About N-(4-bromophenyl)-3-methoxyaniline

N-(4-bromophenyl)-3-methoxyaniline (PubChem CID 54467433) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methoxyaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methoxyaniline
PubChem CID54467433
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC NameN-(4-bromophenyl)-3-methoxyaniline
SMILESCOc1cccc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H12BrNO/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,1H3
InChIKeyXFXLFWLJUKHGMS-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 134358030
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
CID 17386382
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methoxyaniline?
The IUPAC name of N-(4-bromophenyl)-3-methoxyaniline (CID 54467433) is N-(4-bromophenyl)-3-methoxyaniline.
What is the SMILES notation for N-(4-bromophenyl)-3-methoxyaniline?
The canonical SMILES for N-(4-bromophenyl)-3-methoxyaniline is COc1cccc(Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-methoxyaniline?
The InChIKey is XFXLFWLJUKHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,1H3.
What are the key properties of N-(4-bromophenyl)-3-methoxyaniline?
N-(4-bromophenyl)-3-methoxyaniline has a molecular weight of 278.15 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methoxyaniline is sourced from PubChem (CID 54467433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).