4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine

C15H16BrFN2O — CID 107596748

IUPAC4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(Nc2c(F)cccc2Br)ccc1N
InChIInChI=1S/C15H16BrFN2O/c1-2-8-20-14-9-10(6-7-13(14)18)19-15-11(16)4-3-5-12(15)17/h3-7,9,19H,2,8,18H2,1H3
InChIKeyBJCVRICVZRWGBF-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.70
Rot. Bonds5

About 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine

4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine (PubChem CID 107596748) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine
PubChem CID107596748
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(Nc2c(F)cccc2Br)ccc1N
InChIInChI=1S/C15H16BrFN2O/c1-2-8-20-14-9-10(6-7-13(14)18)19-15-11(16)4-3-5-12(15)17/h3-7,9,19H,2,8,18H2,1H3
InChIKeyBJCVRICVZRWGBF-UHFFFAOYSA-N
XLogP4.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.70
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

3-N-(2-bromo-6-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107596767
1-N-(2-bromo-6-fluorophenyl)-3-propoxybenzene-1,2-diamine
CID 107596697
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115
4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 63671478
4-(4-amino-3-propoxyanilino)-3-bromobenzonitrile
CID 107787305
2-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 115125595
1-N-(3-bromophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592218
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671289
2-N-(2-bromo-6-fluorophenyl)-6-ethoxypyridine-2,5-diamine
CID 107596678

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine (CID 107596748) is 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(Nc2c(F)cccc2Br)ccc1N.
What is the InChIKey of 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is BJCVRICVZRWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-2-8-20-14-9-10(6-7-13(14)18)19-15-11(16)4-3-5-12(15)17/h3-7,9,19H,2,8,18H2,1H3.
What are the key properties of 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine?
4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 339.21 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 107596748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).