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

C15H16FN — CID 127044703

IUPACN-(3-fluorophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(F)c2)c(C)c1
InChIInChI=1S/C15H16FN/c1-10-7-11(2)15(12(3)8-10)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3
InChIKeyIOXMYHSMXGNYCT-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.49
Rot. Bonds2

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

N-(3-fluorophenyl)-2,4,6-trimethylaniline (PubChem CID 127044703) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,4,6-trimethylaniline
PubChem CID127044703
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-(3-fluorophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(F)c2)c(C)c1
InChIInChI=1S/C15H16FN/c1-10-7-11(2)15(12(3)8-10)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3
InChIKeyIOXMYHSMXGNYCT-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3-fluorophenyl)-2,4,6-trimethylaniline (CID 127044703) is N-(3-fluorophenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3-fluorophenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3-fluorophenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2cccc(F)c2)c(C)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,4,6-trimethylaniline?
The InChIKey is IOXMYHSMXGNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-7-11(2)15(12(3)8-10)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3.
What are the key properties of N-(3-fluorophenyl)-2,4,6-trimethylaniline?
N-(3-fluorophenyl)-2,4,6-trimethylaniline has a molecular weight of 229.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 127044703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).