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

C11H17F2N3O — CID 175549267

IUPACN-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine
SMILESCN(CCOc1cn(C2CC2)cn1)CC(F)F
InChIInChI=1S/C11H17F2N3O/c1-15(6-10(12)13)4-5-17-11-7-16(8-14-11)9-2-3-9/h7-10H,2-6H2,1H3
InChIKeyALJASBIJUVSEPJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.79
Rot. Bonds7

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

N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine (PubChem CID 175549267) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine
PubChem CID175549267
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine
SMILESCN(CCOc1cn(C2CC2)cn1)CC(F)F
InChIInChI=1S/C11H17F2N3O/c1-15(6-10(12)13)4-5-17-11-7-16(8-14-11)9-2-3-9/h7-10H,2-6H2,1H3
InChIKeyALJASBIJUVSEPJ-UHFFFAOYSA-N
XLogP1.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine (CID 175549267) is N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine is CN(CCOc1cn(C2CC2)cn1)CC(F)F.
What is the InChIKey of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is ALJASBIJUVSEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-15(6-10(12)13)4-5-17-11-7-16(8-14-11)9-2-3-9/h7-10H,2-6H2,1H3.
What are the key properties of N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine?
N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 245.27 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 175549267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).