1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine

C15H24FNO2 — CID 107700851

IUPAC1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
SMILESCC(C)COCCOc1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H24FNO2/c1-11(2)10-18-6-7-19-15-5-4-14(16)9-13(15)8-12(3)17/h4-5,9,11-12H,6-8,10,17H2,1-3H3
InChIKeyRLVGMYSGTRXSOQ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.77
Rot. Bonds8

About 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine

1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine (PubChem CID 107700851) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
PubChem CID107700851
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
SMILESCC(C)COCCOc1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H24FNO2/c1-11(2)10-18-6-7-19-15-5-4-14(16)9-13(15)8-12(3)17/h4-5,9,11-12H,6-8,10,17H2,1-3H3
InChIKeyRLVGMYSGTRXSOQ-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.77
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-propoxyphenyl)propan-2-amine
CID 103694484
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
5-fluoro-2-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 106447630
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
CID 107700673
1-[5-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 107700941
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine (CID 107700851) is 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine is CC(C)COCCOc1ccc(F)cc1CC(C)N.
What is the InChIKey of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
The InChIKey is RLVGMYSGTRXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(2)10-18-6-7-19-15-5-4-14(16)9-13(15)8-12(3)17/h4-5,9,11-12H,6-8,10,17H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107700851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).