2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

C24H22F3N — CID 59536282

IUPAC2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1Cc2ccccc2C(c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H22F3N/c1-17-15-20-9-5-6-10-22(20)23(28(17)16-18-7-3-2-4-8-18)19-11-13-21(14-12-19)24(25,26)27/h2-14,17,23H,15-16H2,1H3
InChIKeyKNRYONKYIMRVRU-UHFFFAOYSA-N
MW381.44 g/mol
LogP6.24
Rot. Bonds3

About 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 59536282) has the molecular formula C24H22F3N and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
PubChem CID59536282
Molecular FormulaC24H22F3N
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1Cc2ccccc2C(c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H22F3N/c1-17-15-20-9-5-6-10-22(20)23(28(17)16-18-7-3-2-4-8-18)19-11-13-21(14-12-19)24(25,26)27/h2-14,17,23H,15-16H2,1H3
InChIKeyKNRYONKYIMRVRU-UHFFFAOYSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline 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 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline (CID 59536282) is 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline is CC1Cc2ccccc2C(c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is KNRYONKYIMRVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N/c1-17-15-20-9-5-6-10-22(20)23(28(17)16-18-7-3-2-4-8-18)19-11-13-21(14-12-19)24(25,26)27/h2-14,17,23H,15-16H2,1H3.
What are the key properties of 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 381.44 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 59536282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).