1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine

C13H20FNO2 — CID 62797505

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-7-17-9-12(15-2)10-5-6-13(16-3)11(14)8-10/h5-6,8,12,15H,4,7,9H2,1-3H3
InChIKeyHGQGPXUXZOQUEU-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine (PubChem CID 62797505) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
PubChem CID62797505
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-7-17-9-12(15-2)10-5-6-13(16-3)11(14)8-10/h5-6,8,12,15H,4,7,9H2,1-3H3
InChIKeyHGQGPXUXZOQUEU-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

1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine
CID 112518379
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
[1-(4-methoxy-3-methylphenyl)-2-propoxyethyl]hydrazine
CID 105258293
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine (CID 62797505) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine?
The InChIKey is HGQGPXUXZOQUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-7-17-9-12(15-2)10-5-6-13(16-3)11(14)8-10/h5-6,8,12,15H,4,7,9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine 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-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 62797505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).