1-(2,6-difluorophenyl)-N-methylethanamine

C9H11F2N — CID 16772789

IUPAC1-(2,6-difluorophenyl)-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1F
InChIInChI=1S/C9H11F2N/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyPUOOAZHFWYJUNB-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.25
Rot. Bonds2

About 1-(2,6-difluorophenyl)-N-methylethanamine

1-(2,6-difluorophenyl)-N-methylethanamine (PubChem CID 16772789) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methylethanamine
PubChem CID16772789
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-(2,6-difluorophenyl)-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1F
InChIInChI=1S/C9H11F2N/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyPUOOAZHFWYJUNB-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methylethanamine (CID 16772789) is 1-(2,6-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methylethanamine is CNC(C)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methylethanamine?
The InChIKey is PUOOAZHFWYJUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methylethanamine?
1-(2,6-difluorophenyl)-N-methylethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 16772789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).