4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine

C16H19FN2O2 — CID 63593234

IUPAC4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
SMILESCCOc1cc(NCCOc2ccccc2)c(N)cc1F
InChIInChI=1S/C16H19FN2O2/c1-2-20-16-11-15(14(18)10-13(16)17)19-8-9-21-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9,18H2,1H3
InChIKeyGMZAHIRGFHRDHT-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.30
Rot. Bonds7

About 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine (PubChem CID 63593234) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
PubChem CID63593234
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
SMILESCCOc1cc(NCCOc2ccccc2)c(N)cc1F
InChIInChI=1S/C16H19FN2O2/c1-2-20-16-11-15(14(18)10-13(16)17)19-8-9-21-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9,18H2,1H3
InChIKeyGMZAHIRGFHRDHT-UHFFFAOYSA-N
XLogP3.30
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384
4-ethoxy-5-fluoro-2-N-[2-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 63592882
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
4-ethoxy-5-fluoro-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426443

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine (CID 63593234) is 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine is CCOc1cc(NCCOc2ccccc2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine?
The InChIKey is GMZAHIRGFHRDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-20-16-11-15(14(18)10-13(16)17)19-8-9-21-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9,18H2,1H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine has a molecular weight of 290.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 63593234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).