4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine

C15H25FN2O2 — CID 63592882

IUPAC4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
SMILESCCOc1cc(NCCOCCC(C)C)c(N)cc1F
InChIInChI=1S/C15H25FN2O2/c1-4-20-15-10-14(13(17)9-12(15)16)18-6-8-19-7-5-11(2)3/h9-11,18H,4-8,17H2,1-3H3
InChIKeyRGNHMPALNFQUPG-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.28
Rot. Bonds9

About 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine (PubChem CID 63592882) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
PubChem CID63592882
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
SMILESCCOc1cc(NCCOCCC(C)C)c(N)cc1F
InChIInChI=1S/C15H25FN2O2/c1-4-20-15-10-14(13(17)9-12(15)16)18-6-8-19-7-5-11(2)3/h9-11,18H,4-8,17H2,1-3H3
InChIKeyRGNHMPALNFQUPG-UHFFFAOYSA-N
XLogP3.28
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.28
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-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
3,5-difluoro-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113325255
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
4-ethoxy-5-fluoro-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426443
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine (CID 63592882) is 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine is CCOc1cc(NCCOCCC(C)C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine?
The InChIKey is RGNHMPALNFQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-4-20-15-10-14(13(17)9-12(15)16)18-6-8-19-7-5-11(2)3/h9-11,18H,4-8,17H2,1-3H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine has a molecular weight of 284.38 g/mol, XLogP of 3.28, 9 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-(3-methylbutoxy)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 63592882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).