2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline

C16H17F2NO — CID 103584618

IUPAC2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
SMILESCOCC(Nc1cc(F)c(C)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-11-8-14(18)15(9-13(11)17)19-16(10-20-2)12-6-4-3-5-7-12/h3-9,16,19H,10H2,1-2H3
InChIKeyFVQCBKDZQOMTRC-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.07
Rot. Bonds5

About 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline

2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline (PubChem CID 103584618) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline.

Molecular Properties

Compound Name2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
PubChem CID103584618
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
SMILESCOCC(Nc1cc(F)c(C)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-11-8-14(18)15(9-13(11)17)19-16(10-20-2)12-6-4-3-5-7-12/h3-9,16,19H,10H2,1-2H3
InChIKeyFVQCBKDZQOMTRC-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,5-difluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 107609296
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
2-fluoro-N-(2-methoxy-1-phenylethyl)-4-nitroaniline
CID 103703534
2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline
CID 103463796
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464437
2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463340
N-(2-methoxy-1-phenylethyl)-2-methyl-4-nitroaniline
CID 103463803
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline?
The IUPAC name of 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline (CID 103584618) is 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline.
What is the SMILES notation for 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline?
The canonical SMILES for 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline is COCC(Nc1cc(F)c(C)cc1F)c1ccccc1.
What is the InChIKey of 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline?
The InChIKey is FVQCBKDZQOMTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-8-14(18)15(9-13(11)17)19-16(10-20-2)12-6-4-3-5-7-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline?
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline has a molecular weight of 277.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline is sourced from PubChem (CID 103584618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).