1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine

C16H16F3N — CID 82814752

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-10-7-8-13(18)15(16(10)19)14(20-2)9-11-5-3-4-6-12(11)17/h3-8,14,20H,9H2,1-2H3
InChIKeyXVZPULAGRBFZRD-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.92
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 82814752) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID82814752
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-10-7-8-13(18)15(16(10)19)14(20-2)9-11-5-3-4-6-12(11)17/h3-8,14,20H,9H2,1-2H3
InChIKeyXVZPULAGRBFZRD-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842714
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
[2-(2-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethyl]hydrazine
CID 105209475
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 82814752) is 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is XVZPULAGRBFZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10-7-8-13(18)15(16(10)19)14(20-2)9-11-5-3-4-6-12(11)17/h3-8,14,20H,9H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 279.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 82814752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).