2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine

C13H12ClFN2 — CID 115124390

IUPAC2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1N)c1cc(Cl)ccc1F
InChIInChI=1S/C13H12ClFN2/c1-17(12-5-3-2-4-11(12)16)13-8-9(14)6-7-10(13)15/h2-8H,16H2,1H3
InChIKeySAVZTEYGGOMDAS-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.83
Rot. Bonds2

About 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine

2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 115124390) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID115124390
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1N)c1cc(Cl)ccc1F
InChIInChI=1S/C13H12ClFN2/c1-17(12-5-3-2-4-11(12)16)13-8-9(14)6-7-10(13)15/h2-8H,16H2,1H3
InChIKeySAVZTEYGGOMDAS-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.83
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-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115127668
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
CID 103552991
5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
CID 114850518
2-fluoro-N-(2-fluorophenyl)-N-methyl-5-phenylaniline
CID 90266693
4-amino-3-(2-fluoro-N-methylanilino)benzoic acid
CID 82785779
1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
CID 107465953
4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818336

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine (CID 115124390) is 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine is CN(c1ccccc1N)c1cc(Cl)ccc1F.
What is the InChIKey of 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is SAVZTEYGGOMDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-17(12-5-3-2-4-11(12)16)13-8-9(14)6-7-10(13)15/h2-8H,16H2,1H3.
What are the key properties of 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine?
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 250.70 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).