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

C11H17FN2O2 — CID 102694545

IUPAC4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
SMILESCOc1cc(NCC(C)OC)c(N)cc1F
InChIInChI=1S/C11H17FN2O2/c1-7(15-2)6-14-10-5-11(16-3)8(12)4-9(10)13/h4-5,7,14H,6,13H2,1-3H3
InChIKeyCAVAFMMNGWECLC-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.86
Rot. Bonds5

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

4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine (PubChem CID 102694545) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
PubChem CID102694545
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
SMILESCOc1cc(NCC(C)OC)c(N)cc1F
InChIInChI=1S/C11H17FN2O2/c1-7(15-2)6-14-10-5-11(16-3)8(12)4-9(10)13/h4-5,7,14H,6,13H2,1-3H3
InChIKeyCAVAFMMNGWECLC-UHFFFAOYSA-N
XLogP1.86
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.86
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

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
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
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
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
1-N-[(2,4-difluorophenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597669
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine (CID 102694545) is 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine is COc1cc(NCC(C)OC)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine?
The InChIKey is CAVAFMMNGWECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-7(15-2)6-14-10-5-11(16-3)8(12)4-9(10)13/h4-5,7,14H,6,13H2,1-3H3.
What are the key properties of 4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine has a molecular weight of 228.27 g/mol, XLogP of 1.86, 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-methoxypropyl)benzene-1,2-diamine is sourced from PubChem (CID 102694545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).