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

C17H20FN — CID 43114183

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2cc(C)ccc2C)c(F)c1
InChIInChI=1S/C17H20FN/c1-11-5-7-13(3)15(9-11)14(4)19-17-8-6-12(2)10-16(17)18/h5-10,14,19H,1-4H3
InChIKeyUPGWOENOZZTOJV-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.92
Rot. Bonds3

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

N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline (PubChem CID 43114183) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
PubChem CID43114183
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2cc(C)ccc2C)c(F)c1
InChIInChI=1S/C17H20FN/c1-11-5-7-13(3)15(9-11)14(4)19-17-8-6-12(2)10-16(17)18/h5-10,14,19H,1-4H3
InChIKeyUPGWOENOZZTOJV-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-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
CID 43114127
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
3-[1-(2,5-dimethylphenyl)ethylamino]-5-fluoro-4-methylbenzonitrile
CID 43728275
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-2-nitroaniline
CID 43217989
4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
CID 43706737
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline (CID 43114183) is N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline is Cc1ccc(NC(C)c2cc(C)ccc2C)c(F)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline?
The InChIKey is UPGWOENOZZTOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-5-7-13(3)15(9-11)14(4)19-17-8-6-12(2)10-16(17)18/h5-10,14,19H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline?
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-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-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 43114183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).