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

C8H9F2N — CID 16790114

IUPAC1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNCc1c(F)cccc1F
InChIInChI=1S/C8H9F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,11H,5H2,1H3
InChIKeyXPBNFWNPKIKOPU-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.68
Rot. Bonds2

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

1-(2,6-difluorophenyl)-N-methylmethanamine (PubChem CID 16790114) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methylmethanamine
PubChem CID16790114
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNCc1c(F)cccc1F
InChIInChI=1S/C8H9F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,11H,5H2,1H3
InChIKeyXPBNFWNPKIKOPU-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.68
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-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methylmethanamine (CID 16790114) is 1-(2,6-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methylmethanamine is CNCc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methylmethanamine?
The InChIKey is XPBNFWNPKIKOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,11H,5H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-N-methylmethanamine has a molecular weight of 157.16 g/mol, XLogP of 1.68, 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-methylmethanamine is sourced from PubChem (CID 16790114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).