4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine

C12H19FN2O2 — CID 104758804

IUPAC4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
SMILESCOc1cc(NCC(C)(C)OC)c(N)cc1F
InChIInChI=1S/C12H19FN2O2/c1-12(2,17-4)7-15-10-6-11(16-3)8(13)5-9(10)14/h5-6,15H,7,14H2,1-4H3
InChIKeyUZMXZIJAFXJXAC-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.25
Rot. Bonds5

About 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine

4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine (PubChem CID 104758804) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
PubChem CID104758804
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
SMILESCOc1cc(NCC(C)(C)OC)c(N)cc1F
InChIInChI=1S/C12H19FN2O2/c1-12(2,17-4)7-15-10-6-11(16-3)8(13)5-9(10)14/h5-6,15H,7,14H2,1-4H3
InChIKeyUZMXZIJAFXJXAC-UHFFFAOYSA-N
XLogP2.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251260
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
4-fluoro-5-methoxy-1-N-prop-2-enylbenzene-1,2-diamine
CID 63599083
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
CID 102694545
4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758809
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
1-N-[2-(3,5-difluorophenyl)ethyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63599783
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
1-N-[(2,4-difluorophenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597669
4-fluoro-5-methoxy-1-N-(2-thiomorpholin-4-ylethyl)benzene-1,2-diamine
CID 106324734
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine (CID 104758804) is 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine is COc1cc(NCC(C)(C)OC)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
The InChIKey is UZMXZIJAFXJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-12(2,17-4)7-15-10-6-11(16-3)8(13)5-9(10)14/h5-6,15H,7,14H2,1-4H3.
What are the key properties of 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine has a molecular weight of 242.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 104758804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).