4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline

C15H15F2NO — CID 115916765

IUPAC4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(F)c1C(C)Nc1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18-12-8-6-11(16)7-9-12)15-13(17)4-3-5-14(15)19-2/h3-10,18H,1-2H3
InChIKeyQJNANOJATZNPJC-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.15
Rot. Bonds4

About 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline

4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline (PubChem CID 115916765) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
PubChem CID115916765
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(F)c1C(C)Nc1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18-12-8-6-11(16)7-9-12)15-13(17)4-3-5-14(15)19-2/h3-10,18H,1-2H3
InChIKeyQJNANOJATZNPJC-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107633140
2-chloro-4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]benzonitrile
CID 115658366
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline (CID 115916765) is 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline is COc1cccc(F)c1C(C)Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The InChIKey is QJNANOJATZNPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(18-12-8-6-11(16)7-9-12)15-13(17)4-3-5-14(15)19-2/h3-10,18H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline has a molecular weight of 263.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 115916765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).