8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C25H23ClF3N — CID 174313520

IUPAC8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(CN2CCc3ccc(C)c(-c4ccc(Cl)c(C(F)(F)F)c4)c3C2)cc1
InChIInChI=1S/C25H23ClF3N/c1-16-3-6-18(7-4-16)14-30-12-11-19-8-5-17(2)24(21(19)15-30)20-9-10-23(26)22(13-20)25(27,28)29/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyBVZPOXYAZSFLTK-UHFFFAOYSA-N
MW429.91 g/mol
LogP7.20
Rot. Bonds3

About 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline

8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 174313520) has the molecular formula C25H23ClF3N and a molecular weight of 429.91 g/mol. Its IUPAC name is 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID174313520
Molecular FormulaC25H23ClF3N
Molecular Weight429.91 g/mol
Exact Mass429.15
IUPAC Name8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(CN2CCc3ccc(C)c(-c4ccc(Cl)c(C(F)(F)F)c4)c3C2)cc1
InChIInChI=1S/C25H23ClF3N/c1-16-3-6-18(7-4-16)14-30-12-11-19-8-5-17(2)24(21(19)15-30)20-9-10-23(26)22(13-20)25(27,28)29/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyBVZPOXYAZSFLTK-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[(3-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 106817889
6-[(3-chloro-4-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918747
2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 21253075
2-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114521933
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]piperazine
CID 14097041
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 75439271
1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134628470
6-[(3,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918407
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-amine;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 162621342
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686570
1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-one
CID 59534346
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119034117

Frequently Asked Questions

What is the IUPAC name of 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 174313520) is 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline is Cc1ccc(CN2CCc3ccc(C)c(-c4ccc(Cl)c(C(F)(F)F)c4)c3C2)cc1.
What is the InChIKey of 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is BVZPOXYAZSFLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N/c1-16-3-6-18(7-4-16)14-30-12-11-19-8-5-17(2)24(21(19)15-30)20-9-10-23(26)22(13-20)25(27,28)29/h3-10,13H,11-12,14-15H2,1-2H3.
What are the key properties of 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 429.91 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174313520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).