N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine

C11H15F2NO2 — CID 115407135

IUPACN-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine
SMILESCOc1cccc(OC)c1CNCC(F)F
InChIInChI=1S/C11H15F2NO2/c1-15-9-4-3-5-10(16-2)8(9)6-14-7-11(12)13/h3-5,11,14H,6-7H2,1-2H3
InChIKeyMCFAVMKLYMSNSJ-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.06
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine

N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine (PubChem CID 115407135) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine
PubChem CID115407135
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine
SMILESCOc1cccc(OC)c1CNCC(F)F
InChIInChI=1S/C11H15F2NO2/c1-15-9-4-3-5-10(16-2)8(9)6-14-7-11(12)13/h3-5,11,14H,6-7H2,1-2H3
InChIKeyMCFAVMKLYMSNSJ-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 113238189
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine (CID 115407135) is N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine is COc1cccc(OC)c1CNCC(F)F.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is MCFAVMKLYMSNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-15-9-4-3-5-10(16-2)8(9)6-14-7-11(12)13/h3-5,11,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine?
N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 231.24 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115407135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).