4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline

C15H16BrNO — CID 103009356

IUPAC4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
SMILESCc1ccc(C)c(COc2cc(N)ccc2Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-4-11(2)12(7-10)9-18-15-8-13(17)5-6-14(15)16/h3-8H,9,17H2,1-2H3
InChIKeyCXFRHIRTAJGXEO-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.23
Rot. Bonds3

About 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline

4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline (PubChem CID 103009356) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
PubChem CID103009356
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
SMILESCc1ccc(C)c(COc2cc(N)ccc2Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-4-11(2)12(7-10)9-18-15-8-13(17)5-6-14(15)16/h3-8H,9,17H2,1-2H3
InChIKeyCXFRHIRTAJGXEO-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
CID 2735321
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
CID 63534722
4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
CID 103008574
4-bromo-3-ethoxyaniline
CID 7015503
3-bromo-4-[(2-chloro-4-methylphenoxy)methyl]aniline
CID 55104427
2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
CID 82134354
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
CID 107098576
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline?
The IUPAC name of 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline (CID 103009356) is 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline.
What is the SMILES notation for 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline?
The canonical SMILES for 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline is Cc1ccc(C)c(COc2cc(N)ccc2Br)c1.
What is the InChIKey of 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline?
The InChIKey is CXFRHIRTAJGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-3-4-11(2)12(7-10)9-18-15-8-13(17)5-6-14(15)16/h3-8H,9,17H2,1-2H3.
What are the key properties of 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline?
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline has a molecular weight of 306.20 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline is sourced from PubChem (CID 103009356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).