(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine

C13H15ClFN3O — CID 78936109

IUPAC(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H15ClFN3O/c1-8(16)10-4-3-9(15)5-11(10)19-7-13-17-6-12(14)18(13)2/h3-6,8H,7,16H2,1-2H3/t8-/m0/s1
InChIKeyBDRYLHRNKRLOAI-QMMMGPOBSA-N
MW283.73 g/mol
LogP2.81
Rot. Bonds4

About (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine

(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine (PubChem CID 78936109) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
PubChem CID78936109
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H15ClFN3O/c1-8(16)10-4-3-9(15)5-11(10)19-7-13-17-6-12(14)18(13)2/h3-6,8H,7,16H2,1-2H3/t8-/m0/s1
InChIKeyBDRYLHRNKRLOAI-QMMMGPOBSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 55145919
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
CID 60887486
(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947322
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine (CID 78936109) is (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine is C[C@H](N)c1ccc(F)cc1OCc1ncc(Cl)n1C.
What is the InChIKey of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
The InChIKey is BDRYLHRNKRLOAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-8(16)10-4-3-9(15)5-11(10)19-7-13-17-6-12(14)18(13)2/h3-6,8H,7,16H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine has a molecular weight of 283.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 78936109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).