1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine

C16H18FNO — CID 106531179

IUPAC1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2cc(F)cc(CNC)c2)c1
InChIInChI=1S/C16H18FNO/c1-3-12-5-4-6-15(8-12)19-16-9-13(11-18-2)7-14(17)10-16/h4-10,18H,3,11H2,1-2H3
InChIKeyBEINNMMHXLMHJP-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.90
Rot. Bonds5

About 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531179) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531179
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2cc(F)cc(CNC)c2)c1
InChIInChI=1S/C16H18FNO/c1-3-12-5-4-6-15(8-12)19-16-9-13(11-18-2)7-14(17)10-16/h4-10,18H,3,11H2,1-2H3
InChIKeyBEINNMMHXLMHJP-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
(E)-3-[3-(3-ethylphenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 106531653
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531179) is 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine is CCc1cccc(Oc2cc(F)cc(CNC)c2)c1.
What is the InChIKey of 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is BEINNMMHXLMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-12-5-4-6-15(8-12)19-16-9-13(11-18-2)7-14(17)10-16/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).