N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline

C17H19F2N — CID 103585111

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
SMILESCc1ccc(C(C)Nc2cc(F)c(C)cc2F)cc1C
InChIInChI=1S/C17H19F2N/c1-10-5-6-14(7-11(10)2)13(4)20-17-9-15(18)12(3)8-16(17)19/h5-9,13,20H,1-4H3
InChIKeyKOEMYXXNMXHUSJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP5.06
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline

N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585111) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
PubChem CID103585111
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
SMILESCc1ccc(C(C)Nc2cc(F)c(C)cc2F)cc1C
InChIInChI=1S/C17H19F2N/c1-10-5-6-14(7-11(10)2)13(4)20-17-9-15(18)12(3)8-16(17)19/h5-9,13,20H,1-4H3
InChIKeyKOEMYXXNMXHUSJ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-but-3-yn-2-yl-2,5-difluoro-4-methylaniline
CID 103585508
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
3-(2,5-difluoro-4-methylanilino)butan-2-ol
CID 103585594
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
4-bromo-N-[1-(3,5-dimethylphenyl)ethyl]-2,5-difluoroaniline
CID 107609450
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline (CID 103585111) is N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline is Cc1ccc(C(C)Nc2cc(F)c(C)cc2F)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline?
The InChIKey is KOEMYXXNMXHUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-10-5-6-14(7-11(10)2)13(4)20-17-9-15(18)12(3)8-16(17)19/h5-9,13,20H,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline?
N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline has a molecular weight of 275.34 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).