4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine

C15H16ClFN2O — CID 83002172

IUPAC4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(Nc2ccc(Cl)c(F)c2)ccc1N
InChIInChI=1S/C15H16ClFN2O/c1-9(2)20-15-8-11(4-6-14(15)18)19-10-3-5-12(16)13(17)7-10/h3-9,19H,18H2,1-2H3
InChIKeyZXXXFHJWDUHTNW-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.59
Rot. Bonds4

About 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002172) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002172
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(Nc2ccc(Cl)c(F)c2)ccc1N
InChIInChI=1S/C15H16ClFN2O/c1-9(2)20-15-8-11(4-6-14(15)18)19-10-3-5-12(16)13(17)7-10/h3-9,19H,18H2,1-2H3
InChIKeyZXXXFHJWDUHTNW-UHFFFAOYSA-N
XLogP4.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.59
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-(3-fluoro-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83004506
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350
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-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
4-N-(4-bromo-2,3-dichlorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107787009
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
ethyl 2-amino-5-(4-chloro-3-fluoroanilino)benzoate
CID 63423525
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83002172) is 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine is CC(C)Oc1cc(Nc2ccc(Cl)c(F)c2)ccc1N.
What is the InChIKey of 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is ZXXXFHJWDUHTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-9(2)20-15-8-11(4-6-14(15)18)19-10-3-5-12(16)13(17)7-10/h3-9,19H,18H2,1-2H3.
What are the key properties of 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).