2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine

C10H14F2N2O — CID 62532492

IUPAC2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
SMILESCCOCCNc1c(N)ccc(F)c1F
InChIInChI=1S/C10H14F2N2O/c1-2-15-6-5-14-10-8(13)4-3-7(11)9(10)12/h3-4,14H,2,5-6,13H2,1H3
InChIKeyFCHAFZPAFOJSEE-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.00
Rot. Bonds5

About 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine

2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 62532492) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
PubChem CID62532492
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
SMILESCCOCCNc1c(N)ccc(F)c1F
InChIInChI=1S/C10H14F2N2O/c1-2-15-6-5-14-10-8(13)4-3-7(11)9(10)12/h3-4,14H,2,5-6,13H2,1H3
InChIKeyFCHAFZPAFOJSEE-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
CID 61016952
ethyl 4-(6-amino-2,3-difluoroanilino)butanoate
CID 64576159
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
2-N-[3-(diethylamino)propyl]-3,4-difluorobenzene-1,2-diamine
CID 62531613
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
CID 65103314
3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
CID 79352222
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 62531809
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine (CID 62532492) is 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine is CCOCCNc1c(N)ccc(F)c1F.
What is the InChIKey of 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is FCHAFZPAFOJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-2-15-6-5-14-10-8(13)4-3-7(11)9(10)12/h3-4,14H,2,5-6,13H2,1H3.
What are the key properties of 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine?
2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine has a molecular weight of 216.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 62532492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).