4-bromo-2-(4-propan-2-ylphenoxy)aniline

C15H16BrNO — CID 65342696

IUPAC4-bromo-2-(4-propan-2-ylphenoxy)aniline
SMILESCC(C)c1ccc(Oc2cc(Br)ccc2N)cc1
InChIInChI=1S/C15H16BrNO/c1-10(2)11-3-6-13(7-4-11)18-15-9-12(16)5-8-14(15)17/h3-10H,17H2,1-2H3
InChIKeyQDLJFOZWAJEYHR-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.95
Rot. Bonds3

About 4-bromo-2-(4-propan-2-ylphenoxy)aniline

4-bromo-2-(4-propan-2-ylphenoxy)aniline (PubChem CID 65342696) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-bromo-2-(4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(4-propan-2-ylphenoxy)aniline
PubChem CID65342696
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-bromo-2-(4-propan-2-ylphenoxy)aniline
SMILESCC(C)c1ccc(Oc2cc(Br)ccc2N)cc1
InChIInChI=1S/C15H16BrNO/c1-10(2)11-3-6-13(7-4-11)18-15-9-12(16)5-8-14(15)17/h3-10H,17H2,1-2H3
InChIKeyQDLJFOZWAJEYHR-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
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

4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
CID 26190303
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-propan-2-ylphenoxy)aniline?
The IUPAC name of 4-bromo-2-(4-propan-2-ylphenoxy)aniline (CID 65342696) is 4-bromo-2-(4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 4-bromo-2-(4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 4-bromo-2-(4-propan-2-ylphenoxy)aniline is CC(C)c1ccc(Oc2cc(Br)ccc2N)cc1.
What is the InChIKey of 4-bromo-2-(4-propan-2-ylphenoxy)aniline?
The InChIKey is QDLJFOZWAJEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10(2)11-3-6-13(7-4-11)18-15-9-12(16)5-8-14(15)17/h3-10H,17H2,1-2H3.
What are the key properties of 4-bromo-2-(4-propan-2-ylphenoxy)aniline?
4-bromo-2-(4-propan-2-ylphenoxy)aniline has a molecular weight of 306.20 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 65342696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).