4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

C16H19BrN2O — CID 107633687

IUPAC4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1c(Br)cccc1Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C16H19BrN2O/c1-10(2)20-16-9-12(7-8-14(16)18)19-15-6-4-5-13(17)11(15)3/h4-10,19H,18H2,1-3H3
InChIKeyCFHZNCHDVULIAO-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.87
Rot. Bonds4

About 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 107633687) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID107633687
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1c(Br)cccc1Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C16H19BrN2O/c1-10(2)20-16-9-12(7-8-14(16)18)19-15-6-4-5-13(17)11(15)3/h4-10,19H,18H2,1-3H3
InChIKeyCFHZNCHDVULIAO-UHFFFAOYSA-N
XLogP4.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
4-N-(4-bromo-2,3-dichlorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107787009
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107633622
4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002794
4-N-(4-fluoro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83001941
ethyl 2-amino-5-(3-bromo-2-methylanilino)benzoate
CID 107637696
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
3-(4-amino-3-propan-2-yloxyanilino)-4-methylbenzonitrile
CID 83005086
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 107633687) is 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is Cc1c(Br)cccc1Nc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is CFHZNCHDVULIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10(2)20-16-9-12(7-8-14(16)18)19-15-6-4-5-13(17)11(15)3/h4-10,19H,18H2,1-3H3.
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 107633687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).