(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

C17H13F3N2O — CID 137309965

IUPAC(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESFC(F)(F)c1ccc(CO/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-7-5-12(6-8-14)11-23-22-10-13-9-21-16-4-2-1-3-15(13)16/h1-10,21H,11H2/b22-10+
InChIKeySARUSNHNWYREPN-LSHDLFTRSA-N
MW318.30 g/mol
LogP4.74
Rot. Bonds4

About (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (PubChem CID 137309965) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
PubChem CID137309965
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESFC(F)(F)c1ccc(CO/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-7-5-12(6-8-14)11-23-22-10-13-9-21-16-4-2-1-3-15(13)16/h1-10,21H,11H2/b22-10+
InChIKeySARUSNHNWYREPN-LSHDLFTRSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine
CID 137309961
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
CID 135538416
3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole
CID 24874145
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386
4-[[4-(trifluoromethyl)phenyl]methoxy]-9H-carbazole
CID 175538568
1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-ol
CID 3751005
[2-[[[2-(1H-indol-3-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 73233881
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The IUPAC name of (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (CID 137309965) is (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is FC(F)(F)c1ccc(CO/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The InChIKey is SARUSNHNWYREPN-LSHDLFTRSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)14-7-5-12(6-8-14)11-23-22-10-13-9-21-16-4-2-1-3-15(13)16/h1-10,21H,11H2/b22-10+.
What are the key properties of (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine has a molecular weight of 318.30 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is sourced from PubChem (CID 137309965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).