4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

C16H18F2N2O — CID 83005350

IUPAC4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)c(OC(C)C)c2)c1F
InChIInChI=1S/C16H18F2N2O/c1-9(2)21-14-8-11(5-7-13(14)19)20-16-12(17)6-4-10(3)15(16)18/h4-9,20H,19H2,1-3H3
InChIKeyMRCPXMZNIFRHEA-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.39
Rot. Bonds4

About 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83005350) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83005350
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)c(OC(C)C)c2)c1F
InChIInChI=1S/C16H18F2N2O/c1-9(2)21-14-8-11(5-7-13(14)19)20-16-12(17)6-4-10(3)15(16)18/h4-9,20H,19H2,1-3H3
InChIKeyMRCPXMZNIFRHEA-UHFFFAOYSA-N
XLogP4.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.39
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-(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
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
4-N-(3-fluoro-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83004506
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
3-(4-amino-3-propan-2-yloxyanilino)-4-methylbenzonitrile
CID 83005086
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83005350) is 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is Cc1ccc(F)c(Nc2ccc(N)c(OC(C)C)c2)c1F.
What is the InChIKey of 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is MRCPXMZNIFRHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-9(2)21-14-8-11(5-7-13(14)19)20-16-12(17)6-4-10(3)15(16)18/h4-9,20H,19H2,1-3H3.
What are the key properties of 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83005350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).