3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine

C10H16FN3O — CID 54093856

IUPAC3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine
SMILESCN(C)CCOc1cc(F)cc(N)c1N
InChIInChI=1S/C10H16FN3O/c1-14(2)3-4-15-9-6-7(11)5-8(12)10(9)13/h5-6H,3-4,12-13H2,1-2H3
InChIKeyMVSMTDZEXDBDGA-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.93
Rot. Bonds4

About 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine

3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine (PubChem CID 54093856) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine
PubChem CID54093856
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine
SMILESCN(C)CCOc1cc(F)cc(N)c1N
InChIInChI=1S/C10H16FN3O/c1-14(2)3-4-15-9-6-7(11)5-8(12)10(9)13/h5-6H,3-4,12-13H2,1-2H3
InChIKeyMVSMTDZEXDBDGA-UHFFFAOYSA-N
XLogP0.93
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine (CID 54093856) is 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine is CN(C)CCOc1cc(F)cc(N)c1N.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine?
The InChIKey is MVSMTDZEXDBDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-14(2)3-4-15-9-6-7(11)5-8(12)10(9)13/h5-6H,3-4,12-13H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine?
3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine has a molecular weight of 213.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 54093856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).