2-fluoro-4-methyl-N-(1-phenylethyl)aniline

C15H16FN — CID 43088352

IUPAC2-fluoro-4-methyl-N-(1-phenylethyl)aniline
SMILESCc1ccc(NC(C)c2ccccc2)c(F)c1
InChIInChI=1S/C15H16FN/c1-11-8-9-15(14(16)10-11)17-12(2)13-6-4-3-5-7-13/h3-10,12,17H,1-2H3
InChIKeyISNIJBURFZIWSZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.31
Rot. Bonds3

About 2-fluoro-4-methyl-N-(1-phenylethyl)aniline

2-fluoro-4-methyl-N-(1-phenylethyl)aniline (PubChem CID 43088352) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(1-phenylethyl)aniline
PubChem CID43088352
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-fluoro-4-methyl-N-(1-phenylethyl)aniline
SMILESCc1ccc(NC(C)c2ccccc2)c(F)c1
InChIInChI=1S/C15H16FN/c1-11-8-9-15(14(16)10-11)17-12(2)13-6-4-3-5-7-13/h3-10,12,17H,1-2H3
InChIKeyISNIJBURFZIWSZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(1-phenylethyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(1-phenylethyl)aniline (CID 43088352) is 2-fluoro-4-methyl-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(1-phenylethyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(1-phenylethyl)aniline is Cc1ccc(NC(C)c2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(1-phenylethyl)aniline?
The InChIKey is ISNIJBURFZIWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-8-9-15(14(16)10-11)17-12(2)13-6-4-3-5-7-13/h3-10,12,17H,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-(1-phenylethyl)aniline?
2-fluoro-4-methyl-N-(1-phenylethyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43088352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).