N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H16F3N3O — CID 66133033

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1cncc1CNCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-16-8-15-6-9(16)5-14-3-4-17-7-10(11,12)13/h6,8,14H,2-5,7H2,1H3
InChIKeyGVGHHDWNPOCMOP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.57
Rot. Bonds7

About N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 66133033) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID66133033
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1cncc1CNCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-16-8-15-6-9(16)5-14-3-4-17-7-10(11,12)13/h6,8,14H,2-5,7H2,1H3
InChIKeyGVGHHDWNPOCMOP-UHFFFAOYSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 66133033) is N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCn1cncc1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GVGHHDWNPOCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-16-8-15-6-9(16)5-14-3-4-17-7-10(11,12)13/h6,8,14H,2-5,7H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 66133033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).