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

C16H19FN2O — CID 63593384

IUPAC4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
SMILESCCOc1cc(NCCc2ccccc2)c(N)cc1F
InChIInChI=1S/C16H19FN2O/c1-2-20-16-11-15(14(18)10-13(16)17)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9,18H2,1H3
InChIKeyUTMRMLPCBQSDAZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.46
Rot. Bonds6

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

4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine (PubChem CID 63593384) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
PubChem CID63593384
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
SMILESCCOc1cc(NCCc2ccccc2)c(N)cc1F
InChIInChI=1S/C16H19FN2O/c1-2-20-16-11-15(14(18)10-13(16)17)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9,18H2,1H3
InChIKeyUTMRMLPCBQSDAZ-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.46
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-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
CID 63593773
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
4-ethoxy-5-fluoro-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diamine
CID 80680826
2-N-[2-(cyclopenten-1-yl)ethyl]-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 106166218
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
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
4-ethoxy-5-fluoro-2-N-[2-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine (CID 63593384) is 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine is CCOc1cc(NCCc2ccccc2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine?
The InChIKey is UTMRMLPCBQSDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-20-16-11-15(14(18)10-13(16)17)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,2,8-9,18H2,1H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 63593384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).