2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline

C8H10BrF2N3O — CID 146413316

IUPAC2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline
SMILESCN(N)c1c(N)cc(Br)cc1OC(F)F
InChIInChI=1S/C8H10BrF2N3O/c1-14(13)7-5(12)2-4(9)3-6(7)15-8(10)11/h2-3,8H,12-13H2,1H3
InChIKeyHRMAGXADRASVOP-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.94
Rot. Bonds3

About 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline

2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline (PubChem CID 146413316) has the molecular formula C8H10BrF2N3O and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline.

Molecular Properties

Compound Name2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline
PubChem CID146413316
Molecular FormulaC8H10BrF2N3O
Molecular Weight282.09 g/mol
Exact Mass281.00
IUPAC Name2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline
SMILESCN(N)c1c(N)cc(Br)cc1OC(F)F
InChIInChI=1S/C8H10BrF2N3O/c1-14(13)7-5(12)2-4(9)3-6(7)15-8(10)11/h2-3,8H,12-13H2,1H3
InChIKeyHRMAGXADRASVOP-UHFFFAOYSA-N
XLogP1.94
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline?
The IUPAC name of 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline (CID 146413316) is 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline.
What is the SMILES notation for 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline?
The canonical SMILES for 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline is CN(N)c1c(N)cc(Br)cc1OC(F)F.
What is the InChIKey of 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline?
The InChIKey is HRMAGXADRASVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3O/c1-14(13)7-5(12)2-4(9)3-6(7)15-8(10)11/h2-3,8H,12-13H2,1H3.
What are the key properties of 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline?
2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline has a molecular weight of 282.09 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-5-bromo-3-(difluoromethoxy)aniline is sourced from PubChem (CID 146413316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).