6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride

C17H15ClF3N — CID 175085793

IUPAC6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
SMILESCc1ccc2c(Cc3ccc(C(F)(F)F)cc3)c[nH]c2c1.Cl
InChIInChI=1S/C17H14F3N.ClH/c1-11-2-7-15-13(10-21-16(15)8-11)9-12-3-5-14(6-4-12)17(18,19)20;/h2-8,10,21H,9H2,1H3;1H
InChIKeyYFWIYENRNYUQMS-UHFFFAOYSA-N
MW325.76 g/mol
LogP5.51
Rot. Bonds2

About 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride

6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride (PubChem CID 175085793) has the molecular formula C17H15ClF3N and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
PubChem CID175085793
Molecular FormulaC17H15ClF3N
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
SMILESCc1ccc2c(Cc3ccc(C(F)(F)F)cc3)c[nH]c2c1.Cl
InChIInChI=1S/C17H14F3N.ClH/c1-11-2-7-15-13(10-21-16(15)8-11)9-12-3-5-14(6-4-12)17(18,19)20;/h2-8,10,21H,9H2,1H3;1H
InChIKeyYFWIYENRNYUQMS-UHFFFAOYSA-N
XLogP5.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.76
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride 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

6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 134832559
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)benzenethiol
CID 67458019
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117178516
N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide
CID 155412401
3,5-dimethyl-4-[3-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 86267710
1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
CID 134357248

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride?
The IUPAC name of 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride (CID 175085793) is 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride.
What is the SMILES notation for 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride?
The canonical SMILES for 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride is Cc1ccc2c(Cc3ccc(C(F)(F)F)cc3)c[nH]c2c1.Cl.
What is the InChIKey of 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride?
The InChIKey is YFWIYENRNYUQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N.ClH/c1-11-2-7-15-13(10-21-16(15)8-11)9-12-3-5-14(6-4-12)17(18,19)20;/h2-8,10,21H,9H2,1H3;1H.
What are the key properties of 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride?
6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride has a molecular weight of 325.76 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride is sourced from PubChem (CID 175085793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).