1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole

C20H16F3N — CID 163282297

IUPAC1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c21
InChIInChI=1S/C20H16F3N/c1-13-12-24(16-9-7-15(8-10-16)20(21,22)23)18-11-6-14-4-2-3-5-17(14)19(13)18/h2-11,13H,12H2,1H3
InChIKeyDELRQHXDHDEGEJ-UHFFFAOYSA-N
MW327.35 g/mol
LogP6.11
Rot. Bonds1

About 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole

1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole (PubChem CID 163282297) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
PubChem CID163282297
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c21
InChIInChI=1S/C20H16F3N/c1-13-12-24(16-9-7-15(8-10-16)20(21,22)23)18-11-6-14-4-2-3-5-17(14)19(13)18/h2-11,13H,12H2,1H3
InChIKeyDELRQHXDHDEGEJ-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.35
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole 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 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole?
The IUPAC name of 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole (CID 163282297) is 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole is CC1CN(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c21.
What is the InChIKey of 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole?
The InChIKey is DELRQHXDHDEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N/c1-13-12-24(16-9-7-15(8-10-16)20(21,22)23)18-11-6-14-4-2-3-5-17(14)19(13)18/h2-11,13H,12H2,1H3.
What are the key properties of 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole?
1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole has a molecular weight of 327.35 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 163282297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).