1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine

C16H17F2NO2 — CID 62784164

IUPAC1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-19-11-12-2-4-15(5-3-12)20-6-7-21-16-9-13(17)8-14(18)10-16/h2-5,8-10,19H,6-7,11H2,1H3
InChIKeyXRYIFHQSLLBPBV-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine

1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62784164) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62784164
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-19-11-12-2-4-15(5-3-12)20-6-7-21-16-9-13(17)8-14(18)10-16/h2-5,8-10,19H,6-7,11H2,1H3
InChIKeyXRYIFHQSLLBPBV-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-methyl-1-[4-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methanamine
CID 55077757
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
1-(3,5-difluorophenoxy)-N-methylmethanamine;ethane
CID 169145011
1-[3-(2-tert-butylsulfonylethoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106722549
1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 66324411
N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine
CID 62444200

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine (CID 62784164) is 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCOc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is XRYIFHQSLLBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-19-11-12-2-4-15(5-3-12)20-6-7-21-16-9-13(17)8-14(18)10-16/h2-5,8-10,19H,6-7,11H2,1H3.
What are the key properties of 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62784164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).