2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

C16H17F2NO — CID 61075545

IUPAC2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-7-8-15(20-3)12(9-10)11(2)19-14-6-4-5-13(17)16(14)18/h4-9,11,19H,1-3H3
InChIKeyLEESOSQEANJKDB-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.45
Rot. Bonds4

About 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (PubChem CID 61075545) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
PubChem CID61075545
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-7-8-15(20-3)12(9-10)11(2)19-14-6-4-5-13(17)16(14)18/h4-9,11,19H,1-3H3
InChIKeyLEESOSQEANJKDB-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

5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
3-fluoro-4-[1-(2-methoxy-5-methylphenyl)ethylamino]benzonitrile
CID 78980856
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
CID 61076797
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The IUPAC name of 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (CID 61075545) is 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is COc1ccc(C)cc1C(C)Nc1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The InChIKey is LEESOSQEANJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-8-15(20-3)12(9-10)11(2)19-14-6-4-5-13(17)16(14)18/h4-9,11,19H,1-3H3.
What are the key properties of 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline 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 2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is sourced from PubChem (CID 61075545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).