1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol

C13H15F2N3O2 — CID 111110050

IUPAC1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ncc[nH]1)COc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3O2/c14-11-2-1-10(5-12(11)15)20-8-9(19)6-16-7-13-17-3-4-18-13/h1-5,9,16,19H,6-8H2,(H,17,18)
InChIKeyDADWHADZJVTCPR-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.22
Rot. Bonds7

About 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol

1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol (PubChem CID 111110050) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
PubChem CID111110050
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ncc[nH]1)COc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3O2/c14-11-2-1-10(5-12(11)15)20-8-9(19)6-16-7-13-17-3-4-18-13/h1-5,9,16,19H,6-8H2,(H,17,18)
InChIKeyDADWHADZJVTCPR-UHFFFAOYSA-N
XLogP1.22
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111104802
1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 109481916
1-(3,4-difluorophenoxy)-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 111104821
1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 110929248
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(3,4-difluorophenoxy)-3-[(5-nitrothiophen-3-yl)methylamino]propan-2-ol
CID 111104806
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol (CID 111110050) is 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol is OC(CNCc1ncc[nH]1)COc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The InChIKey is DADWHADZJVTCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-11-2-1-10(5-12(11)15)20-8-9(19)6-16-7-13-17-3-4-18-13/h1-5,9,16,19H,6-8H2,(H,17,18).
What are the key properties of 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol has a molecular weight of 283.28 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 111110050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).