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

C17H19F2N — CID 106879302

IUPACN-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)cc(F)cc2C)cc1F
InChIInChI=1S/C17H19F2N/c1-4-20-10-14-6-5-13(9-16(14)19)17-11(2)7-15(18)8-12(17)3/h5-9,20H,4,10H2,1-3H3
InChIKeyKMOGBKMLRJESAB-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.36
Rot. Bonds4

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

N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine (PubChem CID 106879302) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
PubChem CID106879302
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)cc(F)cc2C)cc1F
InChIInChI=1S/C17H19F2N/c1-4-20-10-14-6-5-13(9-16(14)19)17-11(2)7-15(18)8-12(17)3/h5-9,20H,4,10H2,1-3H3
InChIKeyKMOGBKMLRJESAB-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265
N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63976634
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine (CID 106879302) is N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2c(C)cc(F)cc2C)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine?
The InChIKey is KMOGBKMLRJESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-4-20-10-14-6-5-13(9-16(14)19)17-11(2)7-15(18)8-12(17)3/h5-9,20H,4,10H2,1-3H3.
What are the key properties of N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.36, 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-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106879302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).