1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H20F3N3O — CID 103148770

IUPAC1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNC(CCOCC(F)(F)F)c1nccn1C
InChIInChI=1S/C12H20F3N3O/c1-3-5-16-10(11-17-6-7-18(11)2)4-8-19-9-12(13,14)15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyGYNQUJHABVPRGR-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.43
Rot. Bonds8

About 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148770) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148770
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNC(CCOCC(F)(F)F)c1nccn1C
InChIInChI=1S/C12H20F3N3O/c1-3-5-16-10(11-17-6-7-18(11)2)4-8-19-9-12(13,14)15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyGYNQUJHABVPRGR-UHFFFAOYSA-N
XLogP2.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.43
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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Related Compounds

N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 103475947
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
1-(4-chloro-1-methylpyrazol-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148778
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215332
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61316143
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148770) is 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCNC(CCOCC(F)(F)F)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is GYNQUJHABVPRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-3-5-16-10(11-17-6-7-18(11)2)4-8-19-9-12(13,14)15/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).