N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline

C17H20FN — CID 63448200

IUPACN-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-9-12(2)17(13(3)10-11)19-14(4)15-5-7-16(18)8-6-15/h5-10,14,19H,1-4H3
InChIKeyVRJSNHIWEULKTP-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.92
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline

N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline (PubChem CID 63448200) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
PubChem CID63448200
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-9-12(2)17(13(3)10-11)19-14(4)15-5-7-16(18)8-6-15/h5-10,14,19H,1-4H3
InChIKeyVRJSNHIWEULKTP-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550261
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline (CID 63448200) is N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NC(C)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline?
The InChIKey is VRJSNHIWEULKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-9-12(2)17(13(3)10-11)19-14(4)15-5-7-16(18)8-6-15/h5-10,14,19H,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline?
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline has a molecular weight of 257.35 g/mol, XLogP of 4.92, 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]-2,4,6-trimethylaniline is sourced from PubChem (CID 63448200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).