2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

C16H16F3NO — CID 81288701

IUPAC2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(7-10-3-5-12(17)9-14(10)19)11-4-6-13(18)16(8-11)21-2/h3-6,8-9,15,20H,7H2,1-2H3
InChIKeyNRQZKBWSJNRFJS-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.62
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 81288701) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID81288701
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(7-10-3-5-12(17)9-14(10)19)11-4-6-13(18)16(8-11)21-2/h3-6,8-9,15,20H,7H2,1-2H3
InChIKeyNRQZKBWSJNRFJS-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
[1-(4-fluoro-3-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340825
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 103214822
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 81288701) is 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is NRQZKBWSJNRFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-15(7-10-3-5-12(17)9-14(10)19)11-4-6-13(18)16(8-11)21-2/h3-6,8-9,15,20H,7H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 81288701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).