1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H18F3N3O — CID 103215835

IUPAC1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCn1ccnc1CC(N)COCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-4-17-5-3-16-10(17)6-9(15)7-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3
InChIKeyVOQNGKWXKWIPLF-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.74
Rot. Bonds7

About 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215835) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215835
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCn1ccnc1CC(N)COCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-4-17-5-3-16-10(17)6-9(15)7-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3
InChIKeyVOQNGKWXKWIPLF-UHFFFAOYSA-N
XLogP1.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
CID 55181651
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105274225
1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760890
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215835) is 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCn1ccnc1CC(N)COCC(F)(F)F.
What is the InChIKey of 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is VOQNGKWXKWIPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-4-17-5-3-16-10(17)6-9(15)7-18-8-11(12,13)14/h3,5,9H,2,4,6-8,15H2,1H3.
What are the key properties of 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).