2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine

C14H14F2N2 — CID 115126009

IUPAC2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2/c1-9-4-3-5-13(17)14(9)18(2)10-6-7-11(15)12(16)8-10/h3-8H,17H2,1-2H3
InChIKeyBZSVARMLBIGVTH-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.62
Rot. Bonds2

About 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine

2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115126009) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115126009
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2/c1-9-4-3-5-13(17)14(9)18(2)10-6-7-11(15)12(16)8-10/h3-8H,17H2,1-2H3
InChIKeyBZSVARMLBIGVTH-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115550393
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126028
2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126021
4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115127668
2-N-(5-bromothiophen-2-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126002
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550477
2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126020
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 62532805
3-amino-2-(3-fluoro-N-methylanilino)benzoic acid
CID 112578745
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine (CID 115126009) is 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is BZSVARMLBIGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-4-3-5-13(17)14(9)18(2)10-6-7-11(15)12(16)8-10/h3-8H,17H2,1-2H3.
What are the key properties of 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine?
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).