N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline

C16H18FN — CID 135382358

IUPACN-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline
SMILESCc1cc(C)cc(Nc2cc(C)c(F)c(C)c2)c1
InChIInChI=1S/C16H18FN/c1-10-5-11(2)7-14(6-10)18-15-8-12(3)16(17)13(4)9-15/h5-9,18H,1-4H3
InChIKeyHZZPSUAKHMMYNN-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.80
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline

N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline (PubChem CID 135382358) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline
PubChem CID135382358
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline
SMILESCc1cc(C)cc(Nc2cc(C)c(F)c(C)c2)c1
InChIInChI=1S/C16H18FN/c1-10-5-11(2)7-14(6-10)18-15-8-12(3)16(17)13(4)9-15/h5-9,18H,1-4H3
InChIKeyHZZPSUAKHMMYNN-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline?
The IUPAC name of N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline (CID 135382358) is N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline is Cc1cc(C)cc(Nc2cc(C)c(F)c(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline?
The InChIKey is HZZPSUAKHMMYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-10-5-11(2)7-14(6-10)18-15-8-12(3)16(17)13(4)9-15/h5-9,18H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline?
N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline has a molecular weight of 243.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline is sourced from PubChem (CID 135382358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).