3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine

C12H13FN2O — CID 115125708

IUPAC3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
SMILESCc1ccc(N(C)c2c(N)cccc2F)o1
InChIInChI=1S/C12H13FN2O/c1-8-6-7-11(16-8)15(2)12-9(13)4-3-5-10(12)14/h3-7H,14H2,1-2H3
InChIKeyNKHBTZLODITMLT-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine

3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine (PubChem CID 115125708) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
PubChem CID115125708
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
SMILESCc1ccc(N(C)c2c(N)cccc2F)o1
InChIInChI=1S/C12H13FN2O/c1-8-6-7-11(16-8)15(2)12-9(13)4-3-5-10(12)14/h3-7H,14H2,1-2H3
InChIKeyNKHBTZLODITMLT-UHFFFAOYSA-N
XLogP3.08
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
4-chloro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115127679
2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
CID 130526445
3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
CID 130949216
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115550393
N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
CID 115211873
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
2-N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125806
2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125891
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
CID 139317380

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine (CID 115125708) is 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine is Cc1ccc(N(C)c2c(N)cccc2F)o1.
What is the InChIKey of 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
The InChIKey is NKHBTZLODITMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-6-7-11(16-8)15(2)12-9(13)4-3-5-10(12)14/h3-7H,14H2,1-2H3.
What are the key properties of 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine has a molecular weight of 220.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115125708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).