4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine

C15H16ClFN2O — CID 63671478

IUPAC4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(Nc2cc(Cl)ccc2F)ccc1N
InChIInChI=1S/C15H16ClFN2O/c1-2-7-20-15-9-11(4-6-13(15)18)19-14-8-10(16)3-5-12(14)17/h3-6,8-9,19H,2,7,18H2,1H3
InChIKeyDQALIXVQYALEGI-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.59
Rot. Bonds5

About 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine

4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine (PubChem CID 63671478) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
PubChem CID63671478
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(Nc2cc(Cl)ccc2F)ccc1N
InChIInChI=1S/C15H16ClFN2O/c1-2-7-20-15-9-11(4-6-13(15)18)19-14-8-10(16)3-5-12(14)17/h3-6,8-9,19H,2,7,18H2,1H3
InChIKeyDQALIXVQYALEGI-UHFFFAOYSA-N
XLogP4.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
3-N-(5-chloro-2-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 80721719
4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671606
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 107596748
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115
4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671289
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
4-(4-amino-3-propoxyanilino)-3-bromobenzonitrile
CID 107787305
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine (CID 63671478) is 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(Nc2cc(Cl)ccc2F)ccc1N.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is DQALIXVQYALEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-7-20-15-9-11(4-6-13(15)18)19-14-8-10(16)3-5-12(14)17/h3-6,8-9,19H,2,7,18H2,1H3.
What are the key properties of 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine?
4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63671478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).