1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine

C13H20FNO2 — CID 82769055

IUPAC1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc(F)ccc1OC
InChIInChI=1S/C13H20FNO2/c1-15-12(5-4-8-16-2)11-9-10(14)6-7-13(11)17-3/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeySMQWJJABYBOWTO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine

1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 82769055) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
PubChem CID82769055
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc(F)ccc1OC
InChIInChI=1S/C13H20FNO2/c1-15-12(5-4-8-16-2)11-9-10(14)6-7-13(11)17-3/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeySMQWJJABYBOWTO-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.52
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

4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105190249
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine (CID 82769055) is 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is SMQWJJABYBOWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-15-12(5-4-8-16-2)11-9-10(14)6-7-13(11)17-3/h6-7,9,12,15H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 82769055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).