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

C16H17F2NO2 — CID 62485918

IUPAC1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCOc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-19-11-12-4-2-3-5-16(12)21-9-8-20-13-6-7-14(17)15(18)10-13/h2-7,10,19H,8-9,11H2,1H3
InChIKeyVSSRQKZAIQRRDT-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.14
Rot. Bonds7

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

1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62485918) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62485918
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCOc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-19-11-12-4-2-3-5-16(12)21-9-8-20-13-6-7-14(17)15(18)10-13/h2-7,10,19H,8-9,11H2,1H3
InChIKeyVSSRQKZAIQRRDT-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-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62434817
2-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62497603
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
2-[2-(3,4-difluorophenoxy)ethoxy]benzenecarbothioamide
CID 43554771
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine (CID 62485918) is 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCCOc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is VSSRQKZAIQRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-19-11-12-4-2-3-5-16(12)21-9-8-20-13-6-7-14(17)15(18)10-13/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[2-[2-(3,4-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-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62485918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).