2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline

C15H15F2NO — CID 65446531

IUPAC2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2NO/c1-19-12-7-5-11(6-8-12)9-10-18-14-4-2-3-13(16)15(14)17/h2-8,18H,9-10H2,1H3
InChIKeyGWMOXIQNXUTJHE-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.63
Rot. Bonds5

About 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline

2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 65446531) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID65446531
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2NO/c1-19-12-7-5-11(6-8-12)9-10-18-14-4-2-3-13(16)15(14)17/h2-8,18H,9-10H2,1H3
InChIKeyGWMOXIQNXUTJHE-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54797935
2-fluoro-6-[3-(4-methoxyphenyl)propylamino]benzonitrile
CID 133287453
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
2-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446525
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65468405
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline (CID 65446531) is 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline is COc1ccc(CCNc2cccc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is GWMOXIQNXUTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-19-12-7-5-11(6-8-12)9-10-18-14-4-2-3-13(16)15(14)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline?
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 263.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 65446531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).