N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine

C15H13F4N — CID 61033400

IUPACN-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(F)cc(F)cc2F)cc1F
InChIInChI=1S/C15H13F4N/c1-2-20-8-10-4-3-9(5-12(10)17)15-13(18)6-11(16)7-14(15)19/h3-7,20H,2,8H2,1H3
InChIKeyQLASGRKBJFYQGZ-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.02
Rot. Bonds4

About N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine (PubChem CID 61033400) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
PubChem CID61033400
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC NameN-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(F)cc(F)cc2F)cc1F
InChIInChI=1S/C15H13F4N/c1-2-20-8-10-4-3-9(5-12(10)17)15-13(18)6-11(16)7-14(15)19/h3-7,20H,2,8H2,1H3
InChIKeyQLASGRKBJFYQGZ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine (CID 61033400) is N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2c(F)cc(F)cc2F)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is QLASGRKBJFYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-2-20-8-10-4-3-9(5-12(10)17)15-13(18)6-11(16)7-14(15)19/h3-7,20H,2,8H2,1H3.
What are the key properties of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine has a molecular weight of 283.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61033400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).