1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine

C10H13F2NO — CID 60922910

IUPAC1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCC(F)F)c1
InChIInChI=1S/C10H13F2NO/c1-13-6-8-3-2-4-9(5-8)14-7-10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyGCHHKDZFDNETRE-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.05
Rot. Bonds5

About 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine

1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine (PubChem CID 60922910) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
PubChem CID60922910
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCC(F)F)c1
InChIInChI=1S/C10H13F2NO/c1-13-6-8-3-2-4-9(5-8)14-7-10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyGCHHKDZFDNETRE-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
1-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249634
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119123469
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111243902

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine (CID 60922910) is 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(OCC(F)F)c1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine?
The InChIKey is GCHHKDZFDNETRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13-6-8-3-2-4-9(5-8)14-7-10(11)12/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine?
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60922910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).