2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline

C16H17F2NO — CID 82818464

IUPAC2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
SMILESCOc1cccc(C(C)Nc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-10-7-8-14(17)16(15(10)18)19-11(2)12-5-4-6-13(9-12)20-3/h4-9,11,19H,1-3H3
InChIKeyZQCFBGAULMZPJR-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.45
Rot. Bonds4

About 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline

2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline (PubChem CID 82818464) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
PubChem CID82818464
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
SMILESCOc1cccc(C(C)Nc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-10-7-8-14(17)16(15(10)18)19-11(2)12-5-4-6-13(9-12)20-3/h4-9,11,19H,1-3H3
InChIKeyZQCFBGAULMZPJR-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82819096
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
CID 43122780
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
4-fluoro-3-[1-(3-methoxyphenyl)ethylamino]benzoic acid
CID 43728194
2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43126327
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
N-[1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547315

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline?
The IUPAC name of 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline (CID 82818464) is 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline?
The canonical SMILES for 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline is COc1cccc(C(C)Nc2c(F)ccc(C)c2F)c1.
What is the InChIKey of 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline?
The InChIKey is ZQCFBGAULMZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-8-14(17)16(15(10)18)19-11(2)12-5-4-6-13(9-12)20-3/h4-9,11,19H,1-3H3.
What are the key properties of 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline?
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline has a molecular weight of 277.31 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 82818464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).