2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline

C17H19F2NO — CID 43096414

IUPAC2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2OC(F)F)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-11-8-9-14(12(2)10-11)13(3)20-15-6-4-5-7-16(15)21-17(18)19/h4-10,13,17,20H,1-3H3
InChIKeyVMBJIZXMMKYLTO-UHFFFAOYSA-N
MW291.34 g/mol
LogP5.08
Rot. Bonds5

About 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline

2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 43096414) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID43096414
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2OC(F)F)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-11-8-9-14(12(2)10-11)13(3)20-15-6-4-5-7-16(15)21-17(18)19/h4-10,13,17,20H,1-3H3
InChIKeyVMBJIZXMMKYLTO-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
CID 107705148
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
CID 43111586
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 43096414) is 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2ccccc2OC(F)F)c(C)c1.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is VMBJIZXMMKYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-8-9-14(12(2)10-11)13(3)20-15-6-4-5-7-16(15)21-17(18)19/h4-10,13,17,20H,1-3H3.
What are the key properties of 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline has a molecular weight of 291.34 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43096414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).