1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine

C14H18FN3O — CID 63064237

IUPAC1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCCCn1ccnc1
InChIInChI=1S/C14H18FN3O/c1-11(16)13-4-3-12(15)9-14(13)19-8-2-6-18-7-5-17-10-18/h3-5,7,9-11H,2,6,8,16H2,1H3
InChIKeyHQXNZFSZMURBDP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine

1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine (PubChem CID 63064237) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
PubChem CID63064237
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCCCn1ccnc1
InChIInChI=1S/C14H18FN3O/c1-11(16)13-4-3-12(15)9-14(13)19-8-2-6-18-7-5-17-10-18/h3-5,7,9-11H,2,6,8,16H2,1H3
InChIKeyHQXNZFSZMURBDP-UHFFFAOYSA-N
XLogP2.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.51
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-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 102948559
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
CID 112728227
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine (CID 63064237) is 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine is CC(N)c1ccc(F)cc1OCCCn1ccnc1.
What is the InChIKey of 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine?
The InChIKey is HQXNZFSZMURBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11(16)13-4-3-12(15)9-14(13)19-8-2-6-18-7-5-17-10-18/h3-5,7,9-11H,2,6,8,16H2,1H3.
What are the key properties of 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine?
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 63064237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).