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

C14H22FNO2 — CID 105176513

IUPAC4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cc(F)ccc1OC
InChIInChI=1S/C14H22FNO2/c1-4-18-9-5-6-13(16-2)12-10-11(15)7-8-14(12)17-3/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyOGTXMWSGDTYIEK-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds8

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

4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 105176513) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID105176513
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cc(F)ccc1OC
InChIInChI=1S/C14H22FNO2/c1-4-18-9-5-6-13(16-2)12-10-11(15)7-8-14(12)17-3/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyOGTXMWSGDTYIEK-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.91
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-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 105142408
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine (CID 105176513) is 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine is CCOCCCC(NC)c1cc(F)ccc1OC.
What is the InChIKey of 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is OGTXMWSGDTYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-18-9-5-6-13(16-2)12-10-11(15)7-8-14(12)17-3/h7-8,10,13,16H,4-6,9H2,1-3H3.
What are the key properties of 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 105176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).