1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine

C16H18FNO2 — CID 62459750

IUPAC1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCOc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-18-12-13-4-2-6-15(10-13)19-8-9-20-16-7-3-5-14(17)11-16/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyVWVPJLUVPDGCHX-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.00
Rot. Bonds7

About 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62459750) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62459750
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCOc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-18-12-13-4-2-6-15(10-13)19-8-9-20-16-7-3-5-14(17)11-16/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyVWVPJLUVPDGCHX-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.00
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-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
N-methyl-1-[3-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]methanamine
CID 63649076
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine (CID 62459750) is 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCOc2cccc(F)c2)c1.
What is the InChIKey of 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is VWVPJLUVPDGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18-12-13-4-2-6-15(10-13)19-8-9-20-16-7-3-5-14(17)11-16/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62459750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).