1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine

C10H12F3NO — CID 80698852

IUPAC1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCCF)c(F)c1
InChIInChI=1S/C10H12F3NO/c1-14-6-7-4-8(12)10(9(13)5-7)15-3-2-11/h4-5,14H,2-3,6H2,1H3
InChIKeyLDQJVMGCTHWAPS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.03
Rot. Bonds5

About 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine

1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine (PubChem CID 80698852) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
PubChem CID80698852
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCCF)c(F)c1
InChIInChI=1S/C10H12F3NO/c1-14-6-7-4-8(12)10(9(13)5-7)15-3-2-11/h4-5,14H,2-3,6H2,1H3
InChIKeyLDQJVMGCTHWAPS-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777
1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 107741869
1-[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]-N-methylmethanamine
CID 115513282
4-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 79892079
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
1-[3,5-difluoro-4-(2-propylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106722374
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988810
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891772

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine (CID 80698852) is 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)c(OCCF)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The InChIKey is LDQJVMGCTHWAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14-6-7-4-8(12)10(9(13)5-7)15-3-2-11/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 80698852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).