N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline

C17H20FN — CID 43094302

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(C(C)Nc2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-5-8-16(13(3)9-11)14(4)19-17-10-15(18)7-6-12(17)2/h5-10,14,19H,1-4H3
InChIKeyFNXVQJQADLXZSK-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.92
Rot. Bonds3

About N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline

N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline (PubChem CID 43094302) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
PubChem CID43094302
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(C(C)Nc2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-5-8-16(13(3)9-11)14(4)19-17-10-15(18)7-6-12(17)2/h5-10,14,19H,1-4H3
InChIKeyFNXVQJQADLXZSK-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

N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43096414
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline (CID 43094302) is N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline is Cc1ccc(C(C)Nc2cc(F)ccc2C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline?
The InChIKey is FNXVQJQADLXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-5-8-16(13(3)9-11)14(4)19-17-10-15(18)7-6-12(17)2/h5-10,14,19H,1-4H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline?
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline 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-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43094302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).