1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine

C17H19F2N — CID 106877909

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H19F2N/c1-11-7-15(19)8-12(2)17(11)16(20-3)10-13-5-4-6-14(18)9-13/h4-9,16,20H,10H2,1-3H3
InChIKeyNYYFFTNUPTYVHE-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.08
Rot. Bonds4

About 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine

1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 106877909) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID106877909
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H19F2N/c1-11-7-15(19)8-12(2)17(11)16(20-3)10-13-5-4-6-14(18)9-13/h4-9,16,20H,10H2,1-3H3
InChIKeyNYYFFTNUPTYVHE-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
2-(3-chlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881297
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 106877909) is 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is NYYFFTNUPTYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-7-15(19)8-12(2)17(11)16(20-3)10-13-5-4-6-14(18)9-13/h4-9,16,20H,10H2,1-3H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 106877909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).