4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline

C15H16FN — CID 166120430

IUPAC4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
SMILESCc1ccc(-c2ccc(N(C)C)cc2)c(F)c1
InChIInChI=1S/C15H16FN/c1-11-4-9-14(15(16)10-11)12-5-7-13(8-6-12)17(2)3/h4-10H,1-3H3
InChIKeyGIPUHKASOIDKOW-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.87
Rot. Bonds2

About 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline

4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline (PubChem CID 166120430) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
PubChem CID166120430
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
SMILESCc1ccc(-c2ccc(N(C)C)cc2)c(F)c1
InChIInChI=1S/C15H16FN/c1-11-4-9-14(15(16)10-11)12-5-7-13(8-6-12)17(2)3/h4-10H,1-3H3
InChIKeyGIPUHKASOIDKOW-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline (CID 166120430) is 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline is Cc1ccc(-c2ccc(N(C)C)cc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline?
The InChIKey is GIPUHKASOIDKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-4-9-14(15(16)10-11)12-5-7-13(8-6-12)17(2)3/h4-10H,1-3H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline?
4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline has a molecular weight of 229.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 166120430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).