2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline

C14H16F3N3O — CID 117095803

IUPAC2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline
SMILESCn1ccnc1C(C)(C)Oc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H16F3N3O/c1-13(2,12-19-6-7-20(12)3)21-11-5-4-9(8-10(11)18)14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyLRYTVKLOXSYEGM-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.34
Rot. Bonds3

About 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline

2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline (PubChem CID 117095803) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline
PubChem CID117095803
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline
SMILESCn1ccnc1C(C)(C)Oc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H16F3N3O/c1-13(2,12-19-6-7-20(12)3)21-11-5-4-9(8-10(11)18)14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyLRYTVKLOXSYEGM-UHFFFAOYSA-N
XLogP3.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrazol-1-ylethoxy)-5-(trifluoromethyl)aniline
CID 82008495
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
CID 102999385
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
4-[2-(1-methylimidazol-2-yl)propan-2-yloxy]benzonitrile
CID 117052705
1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
CID 82008405
[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine
CID 117052076
2-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(trifluoromethyl)aniline
CID 150636929
2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)aniline
CID 19627084
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
CID 101095926
methyl 3-[2-amino-4-(trifluoromethyl)phenoxy]propanoate
CID 82007655
3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine
CID 83856334

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline (CID 117095803) is 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline is Cn1ccnc1C(C)(C)Oc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline?
The InChIKey is LRYTVKLOXSYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-13(2,12-19-6-7-20(12)3)21-11-5-4-9(8-10(11)18)14(15,16)17/h4-8H,18H2,1-3H3.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline?
2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline has a molecular weight of 299.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 117095803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).