4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine

C14H23FN2O — CID 63592175

IUPAC4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
SMILESCCCC(CC)Nc1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H23FN2O/c1-4-7-10(5-2)17-13-9-14(18-6-3)11(15)8-12(13)16/h8-10,17H,4-7,16H2,1-3H3
InChIKeyBFPCYOMIWTWMPU-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.80
Rot. Bonds7

About 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine (PubChem CID 63592175) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
PubChem CID63592175
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
SMILESCCCC(CC)Nc1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H23FN2O/c1-4-7-10(5-2)17-13-9-14(18-6-3)11(15)8-12(13)16/h8-10,17H,4-7,16H2,1-3H3
InChIKeyBFPCYOMIWTWMPU-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.80
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-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602
4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
CID 63593773
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
4-ethoxy-5-fluoro-2-N-(2,3,5-trifluorophenyl)benzene-1,2-diamine
CID 63591998
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
4-fluoro-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,2-diamine
CID 103590454
4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 63592882
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047
1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol
CID 106290189
2-N-[2-(cyclopenten-1-yl)ethyl]-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 106166218
4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
CID 114110430

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine (CID 63592175) is 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine is CCCC(CC)Nc1cc(OCC)c(F)cc1N.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine?
The InChIKey is BFPCYOMIWTWMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-7-10(5-2)17-13-9-14(18-6-3)11(15)8-12(13)16/h8-10,17H,4-7,16H2,1-3H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 3.80, 7 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-hexan-3-ylbenzene-1,2-diamine is sourced from PubChem (CID 63592175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).