N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline

C16H17F2N — CID 18337061

IUPACN-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline
SMILESCc1ccc(Nc2c(C)cc(C)c(F)c2F)c(C)c1
InChIInChI=1S/C16H17F2N/c1-9-5-6-13(10(2)7-9)19-16-12(4)8-11(3)14(17)15(16)18/h5-8,19H,1-4H3
InChIKeyHPZPFWPSODDDTG-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.94
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline

N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline (PubChem CID 18337061) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline
PubChem CID18337061
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline
SMILESCc1ccc(Nc2c(C)cc(C)c(F)c2F)c(C)c1
InChIInChI=1S/C16H17F2N/c1-9-5-6-13(10(2)7-9)19-16-12(4)8-11(3)14(17)15(16)18/h5-8,19H,1-4H3
InChIKeyHPZPFWPSODDDTG-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
CID 63539306
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
CID 70397707
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
ethane;(2,3,4,5,6-pentafluorophenyl) 5-bromo-2-(2,4-dimethylanilino)-3,4-difluorobenzoate
CID 142108925
(2,3,4,5,6-pentafluorophenyl) 2-(2,4-dimethylanilino)-3,4-difluorobenzoate
CID 142108958
5-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]-3H-1,3,4-oxadiazole-2-thione
CID 142007081
2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
CID 55231380
N,2,4-trimethylaniline;hydrochloride
CID 18686602
N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
CID 90804620
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029
N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
CID 143758056

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline?
The IUPAC name of N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline (CID 18337061) is N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline is Cc1ccc(Nc2c(C)cc(C)c(F)c2F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline?
The InChIKey is HPZPFWPSODDDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-9-5-6-13(10(2)7-9)19-16-12(4)8-11(3)14(17)15(16)18/h5-8,19H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline?
N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,3-difluoro-4,6-dimethylaniline is sourced from PubChem (CID 18337061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).