1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol

C13H18F2N2O3 — CID 109391103

IUPAC1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol
SMILESOC(CNc1ccc(OC(F)F)cn1)COCC1CC1
InChIInChI=1S/C13H18F2N2O3/c14-13(15)20-11-3-4-12(17-6-11)16-5-10(18)8-19-7-9-1-2-9/h3-4,6,9-10,13,18H,1-2,5,7-8H2,(H,16,17)
InChIKeyOXIFWXXZMNQFBQ-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.88
Rot. Bonds9

About 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol (PubChem CID 109391103) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol
PubChem CID109391103
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol
SMILESOC(CNc1ccc(OC(F)F)cn1)COCC1CC1
InChIInChI=1S/C13H18F2N2O3/c14-13(15)20-11-3-4-12(17-6-11)16-5-10(18)8-19-7-9-1-2-9/h3-4,6,9-10,13,18H,1-2,5,7-8H2,(H,16,17)
InChIKeyOXIFWXXZMNQFBQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Difluoromethoxy)pyridin-2-amine
CID 14665029
1-[(3-Methylpyridin-2-yl)amino]-3-phenoxypropan-2-ol
CID 2922045
1-(4-Fluorophenoxy)-3-[(2-{[3-(trifluoromethyl)-2-pyridyl]amino}ethyl)amino]propan-2-ol
CID 2725960
3-Methoxy-N-methyl-2-pyridinamine
CID 23365103
5-methoxy-N-methylpyridin-2-amine
CID 20616126
N-Ethyl-3-methoxypyridin-2-amine
CID 28054519
5-(Propan-2-yloxy)pyridin-2-amine
CID 28412263
2-[(6-Aminopyridin-3-yl)oxy]ethan-1-ol
CID 28413668
3-(Difluoromethoxy)pyridin-2-amine
CID 28981901
5-(Trifluoromethoxy)pyridin-2-amine
CID 49871146
3-(Trifluoromethoxy)pyridin-2-amine
CID 49871186
3-(2,2-Difluoroethoxy)pyridin-2-amine
CID 60921614

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol (CID 109391103) is 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol is OC(CNc1ccc(OC(F)F)cn1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is OXIFWXXZMNQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c14-13(15)20-11-3-4-12(17-6-11)16-5-10(18)8-19-7-9-1-2-9/h3-4,6,9-10,13,18H,1-2,5,7-8H2,(H,16,17).
What are the key properties of 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 288.29 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 109391103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).