1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine

C13H20FNO2 — CID 112615799

IUPAC1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
SMILESCOCCCOc1c(F)cccc1CC(C)N
InChIInChI=1S/C13H20FNO2/c1-10(15)9-11-5-3-6-12(14)13(11)17-8-4-7-16-2/h3,5-6,10H,4,7-9,15H2,1-2H3
InChIKeyYGLHSYDJQBRPRL-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds7

About 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine

1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine (PubChem CID 112615799) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
PubChem CID112615799
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
SMILESCOCCCOc1c(F)cccc1CC(C)N
InChIInChI=1S/C13H20FNO2/c1-10(15)9-11-5-3-6-12(14)13(11)17-8-4-7-16-2/h3,5-6,10H,4,7-9,15H2,1-2H3
InChIKeyYGLHSYDJQBRPRL-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 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 ≤ 52.13
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-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
CID 114526348
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112615925
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine (CID 112615799) is 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine is COCCCOc1c(F)cccc1CC(C)N.
What is the InChIKey of 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine?
The InChIKey is YGLHSYDJQBRPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(15)9-11-5-3-6-12(14)13(11)17-8-4-7-16-2/h3,5-6,10H,4,7-9,15H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine?
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 112615799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).