4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine

C10H14ClFN2O — CID 66077409

IUPAC4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
SMILESCCOCCNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-2-15-4-3-14-10-6-8(12)7(11)5-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyAZVRTDVBZJYDMS-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.51
Rot. Bonds5

About 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine

4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine (PubChem CID 66077409) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
PubChem CID66077409
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
SMILESCCOCCNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-2-15-4-3-14-10-6-8(12)7(11)5-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyAZVRTDVBZJYDMS-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.51
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

2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
4-chloro-5-fluoro-1-N-[3-(2-methoxyethoxy)propyl]benzene-1,2-diamine
CID 114097566
4-bromo-1-N-(3-ethoxypropyl)-5-fluorobenzene-1,2-diamine
CID 66110295
ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
4-chloro-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 114089067
tert-butyl N-[2-(2-amino-4-chloro-5-fluoroanilino)ethyl]carbamate
CID 114517992
4-chloro-5-fluoro-1-N-[4-[methyl(propan-2-yl)amino]butyl]benzene-1,2-diamine
CID 66077440
4-chloro-1-N-(3-ethoxypropyl)benzene-1,2-diamine
CID 28904711
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine (CID 66077409) is 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine is CCOCCNc1cc(F)c(Cl)cc1N.
What is the InChIKey of 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is AZVRTDVBZJYDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-2-15-4-3-14-10-6-8(12)7(11)5-9(10)13/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine?
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 232.69 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66077409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).