3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine

C14H21F3N2O — CID 164558941

IUPAC3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine
SMILESCN1CCCCC1.COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO.C6H13N/c1-13-7-3-5(8(9,10)11)2-6(12)4-7;1-7-5-3-2-4-6-7/h2-4H,12H2,1H3;2-6H2,1H3
InChIKeyABAUACTXIVWEPU-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.40
Rot. Bonds1

About 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine

3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine (PubChem CID 164558941) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine
PubChem CID164558941
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine
SMILESCN1CCCCC1.COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO.C6H13N/c1-13-7-3-5(8(9,10)11)2-6(12)4-7;1-7-5-3-2-4-6-7/h2-4H,12H2,1H3;2-6H2,1H3
InChIKeyABAUACTXIVWEPU-UHFFFAOYSA-N
XLogP3.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine (CID 164558941) is 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine is CN1CCCCC1.COc1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine?
The InChIKey is ABAUACTXIVWEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C6H13N/c1-13-7-3-5(8(9,10)11)2-6(12)4-7;1-7-5-3-2-4-6-7/h2-4H,12H2,1H3;2-6H2,1H3.
What are the key properties of 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine?
3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine has a molecular weight of 290.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine is sourced from PubChem (CID 164558941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).