N-[1-(4-fluorophenyl)ethyl]-4-methylaniline

C15H16FN — CID 43179245

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FN/c1-11-3-9-15(10-4-11)17-12(2)13-5-7-14(16)8-6-13/h3-10,12,17H,1-2H3
InChIKeyKQYPKKSLKCBZEO-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.31
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-4-methylaniline

N-[1-(4-fluorophenyl)ethyl]-4-methylaniline (PubChem CID 43179245) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methylaniline
PubChem CID43179245
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FN/c1-11-3-9-15(10-4-11)17-12(2)13-5-7-14(16)8-6-13/h3-10,12,17H,1-2H3
InChIKeyKQYPKKSLKCBZEO-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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Related Compounds

4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methylaniline (CID 43179245) is N-[1-(4-fluorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The InChIKey is KQYPKKSLKCBZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-3-9-15(10-4-11)17-12(2)13-5-7-14(16)8-6-13/h3-10,12,17H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline 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 N-[1-(4-fluorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43179245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).