2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline

C16H17F2NO — CID 43123944

IUPAC2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1c(F)cccc1F)c1ccc(OC)cc1
InChIInChI=1S/C16H17F2NO/c1-3-15(11-7-9-12(20-2)10-8-11)19-16-13(17)5-4-6-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyBODZXTAUFKTLNV-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.54
Rot. Bonds5

About 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline

2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline (PubChem CID 43123944) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
PubChem CID43123944
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1c(F)cccc1F)c1ccc(OC)cc1
InChIInChI=1S/C16H17F2NO/c1-3-15(11-7-9-12(20-2)10-8-11)19-16-13(17)5-4-6-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyBODZXTAUFKTLNV-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 107598084
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
N-[2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43565900
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
5-fluoro-2-N-[1-(4-methoxyphenyl)propyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 137338264

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline?
The IUPAC name of 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline (CID 43123944) is 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline is CCC(Nc1c(F)cccc1F)c1ccc(OC)cc1.
What is the InChIKey of 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline?
The InChIKey is BODZXTAUFKTLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-15(11-7-9-12(20-2)10-8-11)19-16-13(17)5-4-6-14(16)18/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline?
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline has a molecular weight of 277.31 g/mol, XLogP of 4.54, 5 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-(4-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43123944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).