4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine

C15H16ClFN2O — CID 103553624

IUPAC4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine
SMILESCC(C)c1ccc(Oc2c(N)cc(N)c(Cl)c2F)cc1
InChIInChI=1S/C15H16ClFN2O/c1-8(2)9-3-5-10(6-4-9)20-15-12(19)7-11(18)13(16)14(15)17/h3-8H,18-19H2,1-2H3
InChIKeyMBPBKMFLWPCNQV-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.56
Rot. Bonds3

About 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine

4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine (PubChem CID 103553624) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine
PubChem CID103553624
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine
SMILESCC(C)c1ccc(Oc2c(N)cc(N)c(Cl)c2F)cc1
InChIInChI=1S/C15H16ClFN2O/c1-8(2)9-3-5-10(6-4-9)20-15-12(19)7-11(18)13(16)14(15)17/h3-8H,18-19H2,1-2H3
InChIKeyMBPBKMFLWPCNQV-UHFFFAOYSA-N
XLogP4.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.56
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-(4-bromophenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553635
4-(4,6-diamino-3-chloro-2-fluorophenoxy)benzonitrile
CID 103553641
2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol
CID 107708483
4-chloro-5-fluoro-6-(1-phenylethoxy)benzene-1,3-diamine
CID 103553678
4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553690
3,5-difluoro-4-(4-propan-2-ylphenoxy)benzoic acid
CID 63460686
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
5-chloro-6-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 103552628
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine (CID 103553624) is 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine is CC(C)c1ccc(Oc2c(N)cc(N)c(Cl)c2F)cc1.
What is the InChIKey of 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine?
The InChIKey is MBPBKMFLWPCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-8(2)9-3-5-10(6-4-9)20-15-12(19)7-11(18)13(16)14(15)17/h3-8H,18-19H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine?
4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine is sourced from PubChem (CID 103553624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).