4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine

C14H22FNO2 — CID 105174760

IUPAC4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cccc(OC)c1F
InChIInChI=1S/C14H22FNO2/c1-4-18-10-6-8-12(16-2)11-7-5-9-13(17-3)14(11)15/h5,7,9,12,16H,4,6,8,10H2,1-3H3
InChIKeyMUVIVUWSMDHDJO-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds8

About 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine

4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 105174760) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID105174760
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cccc(OC)c1F
InChIInChI=1S/C14H22FNO2/c1-4-18-10-6-8-12(16-2)11-7-5-9-13(17-3)14(11)15/h5,7,9,12,16H,4,6,8,10H2,1-3H3
InChIKeyMUVIVUWSMDHDJO-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

4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 105142408
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105174719
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105190249
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine (CID 105174760) is 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine is CCOCCCC(NC)c1cccc(OC)c1F.
What is the InChIKey of 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is MUVIVUWSMDHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-18-10-6-8-12(16-2)11-7-5-9-13(17-3)14(11)15/h5,7,9,12,16H,4,6,8,10H2,1-3H3.
What are the key properties of 4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine?
4-ethoxy-1-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 105174760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).