3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine

C14H14BrFN2O — CID 107634380

IUPAC3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-19-12-7-10(17)6-11(8-12)18-14-5-9(16)3-4-13(14)15/h3-8,18H,2,17H2,1H3
InChIKeyALXBDUWVVSICJA-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.31
Rot. Bonds4

About 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine

3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine (PubChem CID 107634380) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
PubChem CID107634380
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-19-12-7-10(17)6-11(8-12)18-14-5-9(16)3-4-13(14)15/h3-8,18H,2,17H2,1H3
InChIKeyALXBDUWVVSICJA-UHFFFAOYSA-N
XLogP4.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
3-N-(4-bromo-2-chlorophenyl)-5-ethoxybenzene-1,3-diamine
CID 80722933
3-N-(4-bromophenyl)-5-ethoxybenzene-1,3-diamine
CID 80721814
5-ethoxy-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 80721684
3-N-(2-bromophenyl)-5-propoxybenzene-1,3-diamine
CID 80723449
5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine
CID 80722252
3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107363634
3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine
CID 54955676
5-ethoxy-3-N-(4-methylsulfanylphenyl)benzene-1,3-diamine
CID 80722731
3-N-[(2,4-difluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80739312
3-N-(2,5-dichloro-4-methylphenyl)-5-ethoxybenzene-1,3-diamine
CID 104725826
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine (CID 107634380) is 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine is CCOc1cc(N)cc(Nc2cc(F)ccc2Br)c1.
What is the InChIKey of 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
The InChIKey is ALXBDUWVVSICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-19-12-7-10(17)6-11(8-12)18-14-5-9(16)3-4-13(14)15/h3-8,18H,2,17H2,1H3.
What are the key properties of 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine has a molecular weight of 325.18 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine is sourced from PubChem (CID 107634380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).