1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine

C15H20FN3O — CID 107701135

IUPAC1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCCCn1ccnc1
InChIInChI=1S/C15H20FN3O/c1-12(17)9-13-10-14(16)3-4-15(13)20-8-2-6-19-7-5-18-11-19/h3-5,7,10-12H,2,6,8-9,17H2,1H3
InChIKeyLNVAYGXDSWMYKP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.38
Rot. Bonds7

About 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine

1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine (PubChem CID 107701135) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
PubChem CID107701135
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCCCn1ccnc1
InChIInChI=1S/C15H20FN3O/c1-12(17)9-13-10-14(16)3-4-15(13)20-8-2-6-19-7-5-18-11-19/h3-5,7,10-12H,2,6,8-9,17H2,1H3
InChIKeyLNVAYGXDSWMYKP-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
CID 63326379
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 61493243
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
CID 112728227
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-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine (CID 107701135) is 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1OCCCn1ccnc1.
What is the InChIKey of 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
The InChIKey is LNVAYGXDSWMYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-12(17)9-13-10-14(16)3-4-15(13)20-8-2-6-19-7-5-18-11-19/h3-5,7,10-12H,2,6,8-9,17H2,1H3.
What are the key properties of 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107701135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).