N-(3,4-difluorophenyl)-2,4,6-trimethylaniline

C15H15F2N — CID 127044218

IUPACN-(3,4-difluorophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C15H15F2N/c1-9-6-10(2)15(11(3)7-9)18-12-4-5-13(16)14(17)8-12/h4-8,18H,1-3H3
InChIKeyKHTIKBLGKGMBMT-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.63
Rot. Bonds2

About N-(3,4-difluorophenyl)-2,4,6-trimethylaniline

N-(3,4-difluorophenyl)-2,4,6-trimethylaniline (PubChem CID 127044218) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,4,6-trimethylaniline
PubChem CID127044218
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(3,4-difluorophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C15H15F2N/c1-9-6-10(2)15(11(3)7-9)18-12-4-5-13(16)14(17)8-12/h4-8,18H,1-3H3
InChIKeyKHTIKBLGKGMBMT-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3,4-difluorophenyl)-2,4,6-trimethylaniline (CID 127044218) is N-(3,4-difluorophenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3,4-difluorophenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,4,6-trimethylaniline?
The InChIKey is KHTIKBLGKGMBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-9-6-10(2)15(11(3)7-9)18-12-4-5-13(16)14(17)8-12/h4-8,18H,1-3H3.
What are the key properties of N-(3,4-difluorophenyl)-2,4,6-trimethylaniline?
N-(3,4-difluorophenyl)-2,4,6-trimethylaniline has a molecular weight of 247.29 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 127044218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).