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

C11H15F2NO — CID 142399643

IUPAC1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC(CF)CF)c1
InChIInChI=1S/C11H15F2NO/c1-14-8-9-3-2-4-10(5-9)15-11(6-12)7-13/h2-5,11,14H,6-8H2,1H3
InChIKeySLUKTLHXFYHELM-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds6

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

1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine (PubChem CID 142399643) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
PubChem CID142399643
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC(CF)CF)c1
InChIInChI=1S/C11H15F2NO/c1-14-8-9-3-2-4-10(5-9)15-11(6-12)7-13/h2-5,11,14H,6-8H2,1H3
InChIKeySLUKTLHXFYHELM-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

3-[3-(methylaminomethyl)phenoxy]pentanenitrile
CID 106485978
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine (CID 142399643) is 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine is CNCc1cccc(OC(CF)CF)c1.
What is the InChIKey of 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is SLUKTLHXFYHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-14-8-9-3-2-4-10(5-9)15-11(6-12)7-13/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine?
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 142399643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).