1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine

C10H13F2NO2 — CID 61270001

IUPAC1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OC(F)F
InChIInChI=1S/C10H13F2NO2/c1-13-6-7-3-4-8(14-2)5-9(7)15-10(11)12/h3-5,10,13H,6H2,1-2H3
InChIKeyWTWDPEAFIIQJLJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine

1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine (PubChem CID 61270001) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
PubChem CID61270001
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OC(F)F
InChIInChI=1S/C10H13F2NO2/c1-13-6-7-3-4-8(14-2)5-9(7)15-10(11)12/h3-5,10,13H,6H2,1-2H3
InChIKeyWTWDPEAFIIQJLJ-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine (CID 61270001) is 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine is CNCc1ccc(OC)cc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine?
The InChIKey is WTWDPEAFIIQJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-13-6-7-3-4-8(14-2)5-9(7)15-10(11)12/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine?
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine has a molecular weight of 217.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 61270001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).