5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine

C14H15FN2O — CID 80723582

IUPAC5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O/c1-2-18-14-8-11(16)7-13(9-14)17-12-5-3-10(15)4-6-12/h3-9,17H,2,16H2,1H3
InChIKeyUSMPOHCYZFCFNK-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.55
Rot. Bonds4

About 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine

5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine (PubChem CID 80723582) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
PubChem CID80723582
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O/c1-2-18-14-8-11(16)7-13(9-14)17-12-5-3-10(15)4-6-12/h3-9,17H,2,16H2,1H3
InChIKeyUSMPOHCYZFCFNK-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.55
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

5-ethoxy-3-N-(4-methylsulfanylphenyl)benzene-1,3-diamine
CID 80722731
3-N-(4-bromophenyl)-5-ethoxybenzene-1,3-diamine
CID 80721814
3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107363634
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107634380
5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
CID 80736004
5-ethoxy-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 80721684
3-N-[(2,4-difluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80739312
5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine
CID 80722252
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
3,5-diethoxyaniline
CID 22605063
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine (CID 80723582) is 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine is CCOc1cc(N)cc(Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine?
The InChIKey is USMPOHCYZFCFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-18-14-8-11(16)7-13(9-14)17-12-5-3-10(15)4-6-12/h3-9,17H,2,16H2,1H3.
What are the key properties of 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine?
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine is sourced from PubChem (CID 80723582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).