N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine

C13H21F2N3O2 — CID 175549302

IUPACN-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOc1cn(C2CC2)cn1)CC(F)F
InChIInChI=1S/C13H21F2N3O2/c1-19-6-4-17(8-12(14)15)5-7-20-13-9-18(10-16-13)11-2-3-11/h9-12H,2-8H2,1H3
InChIKeyVRZMJGXGDMSZEE-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.81
Rot. Bonds10

About N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine

N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine (PubChem CID 175549302) has the molecular formula C13H21F2N3O2 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine
PubChem CID175549302
Molecular FormulaC13H21F2N3O2
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC NameN-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOc1cn(C2CC2)cn1)CC(F)F
InChIInChI=1S/C13H21F2N3O2/c1-19-6-4-17(8-12(14)15)5-7-20-13-9-18(10-16-13)11-2-3-11/h9-12H,2-8H2,1H3
InChIKeyVRZMJGXGDMSZEE-UHFFFAOYSA-N
XLogP1.81
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine (CID 175549302) is N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine is COCCN(CCOc1cn(C2CC2)cn1)CC(F)F.
What is the InChIKey of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The InChIKey is VRZMJGXGDMSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2/c1-19-6-4-17(8-12(14)15)5-7-20-13-9-18(10-16-13)11-2-3-11/h9-12H,2-8H2,1H3.
What are the key properties of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine has a molecular weight of 289.33 g/mol, XLogP of 1.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 175549302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).