4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine

C10H15BrFN3O — CID 156868293

IUPAC4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine
SMILESCN(C)CCOc1cc(Br)c(F)c(N)c1N
InChIInChI=1S/C10H15BrFN3O/c1-15(2)3-4-16-7-5-6(11)8(12)10(14)9(7)13/h5H,3-4,13-14H2,1-2H3
InChIKeyBXKOYWVBDHNWSV-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.69
Rot. Bonds4

About 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine

4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine (PubChem CID 156868293) has the molecular formula C10H15BrFN3O and a molecular weight of 292.15 g/mol. Its IUPAC name is 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine
PubChem CID156868293
Molecular FormulaC10H15BrFN3O
Molecular Weight292.15 g/mol
Exact Mass291.04
IUPAC Name4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine
SMILESCN(C)CCOc1cc(Br)c(F)c(N)c1N
InChIInChI=1S/C10H15BrFN3O/c1-15(2)3-4-16-7-5-6(11)8(12)10(14)9(7)13/h5H,3-4,13-14H2,1-2H3
InChIKeyBXKOYWVBDHNWSV-UHFFFAOYSA-N
XLogP1.69
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.69
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-Bromo-6-fluoro-3-methoxybenzene-1,2-diamine hydrochloride
CID 165943602
3-[2-(Dimethylamino)ethoxy]-5-fluorobenzene-1,2-diamine
CID 54093856
4-Bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline
CID 67238021
4-Bromo-2-butoxy-6-fluoroaniline
CID 89751785
8-Bromo-7-fluoro-2,3,4,5-tetrahydro-1,5-benzoxazepin-6-amine
CID 126673769
4-Bromo-6-(3,3-diethoxypropoxy)-3-fluorobenzene-1,2-diamine
CID 126673823
4-Bromo-3-fluoro-6-methoxybenzene-1,2-diamine
CID 126673825
8-bromo-7-fluoro-N-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-6-amine
CID 126700722
4-Bromo-2-ethoxy-6-fluoroaniline
CID 131611442
5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine
CID 146372327
3-Bromo-5-[2-(dimethylamino)ethoxy]-2-fluoro-6-nitroaniline
CID 156868395
4-Bromo-6-fluoro-3-methoxybenzene-1,2-diamine
CID 163251693

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine?
The IUPAC name of 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine (CID 156868293) is 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine is CN(C)CCOc1cc(Br)c(F)c(N)c1N.
What is the InChIKey of 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine?
The InChIKey is BXKOYWVBDHNWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFN3O/c1-15(2)3-4-16-7-5-6(11)8(12)10(14)9(7)13/h5H,3-4,13-14H2,1-2H3.
What are the key properties of 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine?
4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine has a molecular weight of 292.15 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(dimethylamino)ethoxy]-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 156868293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).