(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine

C13H14BrF2N3O — CID 102946674

IUPAC(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1nccn1C(F)F
InChIInChI=1S/C13H14BrF2N3O/c1-8(17)10-3-2-9(14)6-11(10)20-7-12-18-4-5-19(12)13(15)16/h2-6,8,13H,7,17H2,1H3/t8-/m1/s1
InChIKeyRVJWWALZPXRXBM-MRVPVSSYSA-N
MW346.18 g/mol
LogP3.64
Rot. Bonds5

About (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine (PubChem CID 102946674) has the molecular formula C13H14BrF2N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
PubChem CID102946674
Molecular FormulaC13H14BrF2N3O
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1nccn1C(F)F
InChIInChI=1S/C13H14BrF2N3O/c1-8(17)10-3-2-9(14)6-11(10)20-7-12-18-4-5-19(12)13(15)16/h2-6,8,13H,7,17H2,1H3/t8-/m1/s1
InChIKeyRVJWWALZPXRXBM-MRVPVSSYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
(1S)-1-[4-bromo-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]ethanamine
CID 102946997
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 63650710
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
1-[4-bromo-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947321
1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 62072724
(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 63364536
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine (CID 102946674) is (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCc1nccn1C(F)F.
What is the InChIKey of (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
The InChIKey is RVJWWALZPXRXBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14BrF2N3O/c1-8(17)10-3-2-9(14)6-11(10)20-7-12-18-4-5-19(12)13(15)16/h2-6,8,13H,7,17H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine has a molecular weight of 346.18 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 102946674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).