4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine

C13H11ClF2N2 — CID 115127668

IUPAC4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccc(F)c(F)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C13H11ClF2N2/c1-18(9-3-4-10(15)11(16)7-9)13-6-8(14)2-5-12(13)17/h2-7H,17H2,1H3
InChIKeyARIYMCUUFOGXJX-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.97
Rot. Bonds2

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

4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 115127668) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID115127668
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccc(F)c(F)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C13H11ClF2N2/c1-18(9-3-4-10(15)11(16)7-9)13-6-8(14)2-5-12(13)17/h2-7H,17H2,1H3
InChIKeyARIYMCUUFOGXJX-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.97
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-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
4-chloro-5-fluoro-1-N-methyl-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 66078805
4-chloro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115127679
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
CID 115124095
N-amino-N-(2-amino-5-chlorophenyl)hydroxylamine
CID 135265282
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine (CID 115127668) is 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine is CN(c1ccc(F)c(F)c1)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is ARIYMCUUFOGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-18(9-3-4-10(15)11(16)7-9)13-6-8(14)2-5-12(13)17/h2-7H,17H2,1H3.
What are the key properties of 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 268.69 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115127668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).