5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine

C8H9BrF2N2O — CID 146372327

IUPAC5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cc(Br)cc1OC(F)F
InChIInChI=1S/C8H9BrF2N2O/c1-13-7-5(12)2-4(9)3-6(7)14-8(10)11/h2-3,8,13H,12H2,1H3
InChIKeyOCXSAXMNXBDRGO-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.67
Rot. Bonds3

About 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine

5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine (PubChem CID 146372327) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine
PubChem CID146372327
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cc(Br)cc1OC(F)F
InChIInChI=1S/C8H9BrF2N2O/c1-13-7-5(12)2-4(9)3-6(7)14-8(10)11/h2-3,8,13H,12H2,1H3
InChIKeyOCXSAXMNXBDRGO-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methyl-2-(trifluoromethoxy)aniline
CID 59454375
4-bromo-2-methoxy-N-methylaniline hydrochloride
CID 165890302
3-bromo-5-methoxy-N-methylaniline hydrochloride
CID 165989681
4-bromo-N-methyl-2-(trifluoromethoxy)aniline
CID 59454361
4-bromo-2-methoxy-N-methylaniline
CID 83704748
6-allyloxy-N2-(4-bromo-2-fluoro-phenyl)-3,4-difluoro-benzene-1,2-diamine
CID 86669366
N2-(4-Bromo-2-fluoro-phenyl)-3,4-difluoro-6-methoxy-benzene-1,2-diamine
CID 86762192
5-bromo-N1-(3,5-difluorophenyl)-3-methoxybenzene-1,2-diamine
CID 89429120
4-Bromo-N-methyl-2-nitro-6-(trifluoromethoxy)aniline
CID 90027506
4-bromo-3-(2,4-difluorophenoxy)-1-N-methylbenzene-1,2-diamine
CID 118093952
8-Bromo-7-fluoro-2,3,4,5-tetrahydro-1,5-benzoxazepin-6-amine
CID 126673769
4-Bromo-3-fluoro-6-methoxybenzene-1,2-diamine
CID 126673825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine (CID 146372327) is 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine is CNc1c(N)cc(Br)cc1OC(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine?
The InChIKey is OCXSAXMNXBDRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c1-13-7-5(12)2-4(9)3-6(7)14-8(10)11/h2-3,8,13H,12H2,1H3.
What are the key properties of 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine?
5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine has a molecular weight of 267.07 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethoxy)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 146372327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).