(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine

C13H15F2N3O — CID 55191156

IUPAC(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2nccn2C(F)F)c1
InChIInChI=1S/C13H15F2N3O/c1-9(16)10-3-2-4-11(7-10)19-8-12-17-5-6-18(12)13(14)15/h2-7,9,13H,8,16H2,1H3/t9-/m0/s1
InChIKeyMHLSRJWNOAGDMN-VIFPVBQESA-N
MW267.28 g/mol
LogP2.88
Rot. Bonds5

About (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine

(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine (PubChem CID 55191156) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
PubChem CID55191156
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2nccn2C(F)F)c1
InChIInChI=1S/C13H15F2N3O/c1-9(16)10-3-2-4-11(7-10)19-8-12-17-5-6-18(12)13(14)15/h2-7,9,13H,8,16H2,1H3/t9-/m0/s1
InChIKeyMHLSRJWNOAGDMN-VIFPVBQESA-N
XLogP2.88
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683199
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine (CID 55191156) is (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCc2nccn2C(F)F)c1.
What is the InChIKey of (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
The InChIKey is MHLSRJWNOAGDMN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-9(16)10-3-2-4-11(7-10)19-8-12-17-5-6-18(12)13(14)15/h2-7,9,13H,8,16H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine?
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine has a molecular weight of 267.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 55191156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).