4-butoxy-5-fluorobenzene-1,2-diamine

C10H15FN2O — CID 170437526

IUPAC4-butoxy-5-fluorobenzene-1,2-diamine
SMILESCCCCOc1cc(N)c(N)cc1F
InChIInChI=1S/C10H15FN2O/c1-2-3-4-14-10-6-9(13)8(12)5-7(10)11/h5-6H,2-4,12-13H2,1H3
InChIKeyZOEHACXXNZAVQV-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.17
Rot. Bonds4

About 4-butoxy-5-fluorobenzene-1,2-diamine

4-butoxy-5-fluorobenzene-1,2-diamine (PubChem CID 170437526) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-butoxy-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-butoxy-5-fluorobenzene-1,2-diamine
PubChem CID170437526
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-butoxy-5-fluorobenzene-1,2-diamine
SMILESCCCCOc1cc(N)c(N)cc1F
InChIInChI=1S/C10H15FN2O/c1-2-3-4-14-10-6-9(13)8(12)5-7(10)11/h5-6H,2-4,12-13H2,1H3
InChIKeyZOEHACXXNZAVQV-UHFFFAOYSA-N
XLogP2.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.17
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

4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381
4-dodecoxy-3-fluoroaniline
CID 63404209
6-butoxy-7-fluoroquinoxaline
CID 119089834
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
2-butoxy-6-fluoroaniline
CID 60790205
CID 88897774
CID 88897774

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-butoxy-5-fluorobenzene-1,2-diamine (CID 170437526) is 4-butoxy-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-butoxy-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-butoxy-5-fluorobenzene-1,2-diamine is CCCCOc1cc(N)c(N)cc1F.
What is the InChIKey of 4-butoxy-5-fluorobenzene-1,2-diamine?
The InChIKey is ZOEHACXXNZAVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-2-3-4-14-10-6-9(13)8(12)5-7(10)11/h5-6H,2-4,12-13H2,1H3.
What are the key properties of 4-butoxy-5-fluorobenzene-1,2-diamine?
4-butoxy-5-fluorobenzene-1,2-diamine has a molecular weight of 198.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 170437526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).