N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine

C11H15F2NO — CID 2851055

IUPACN-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyAVAGRZSTJMCDSH-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine

N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 2851055) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID2851055
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyAVAGRZSTJMCDSH-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine (CID 2851055) is N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is AVAGRZSTJMCDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 2851055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).