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

C17H15ClF3N — CID 150974005

IUPAC8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)c1ccc(CN2CCc3cccc(Cl)c3C2)cc1
InChIInChI=1S/C17H15ClF3N/c18-16-3-1-2-13-8-9-22(11-15(13)16)10-12-4-6-14(7-5-12)17(19,20)21/h1-7H,8-11H2
InChIKeyLOSGSIPGSTUHFT-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.92
Rot. Bonds2

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

8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 150974005) has the molecular formula C17H15ClF3N and a molecular weight of 325.76 g/mol. Its IUPAC name is 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID150974005
Molecular FormulaC17H15ClF3N
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)c1ccc(CN2CCc3cccc(Cl)c3C2)cc1
InChIInChI=1S/C17H15ClF3N/c18-16-3-1-2-13-8-9-22(11-15(13)16)10-12-4-6-14(7-5-12)17(19,20)21/h1-7H,8-11H2
InChIKeyLOSGSIPGSTUHFT-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
4-(4-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9795462
4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9838350
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
5-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595083
Isoquinoline, 1,2,3,4-tetrahydro-2-((2-chlorophenyl)methyl)-, hydrochloride
CID 3055748
(6S,10bR)-7-chloro-6-[3-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903173
(6S,10bS)-7-chloro-6-[3-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 54585657
2-Benzyl-7,8-dichloro-1,2,3,4-tetrahydro-isoquinoline
CID 44377699
Cambridge id 5268742
CID 785707
2-(2-Chlorobenzyl)-1,2,3,4-tetrahydroisoquinoline
CID 792349

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline (CID 150974005) is 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline is FC(F)(F)c1ccc(CN2CCc3cccc(Cl)c3C2)cc1.
What is the InChIKey of 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is LOSGSIPGSTUHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N/c18-16-3-1-2-13-8-9-22(11-15(13)16)10-12-4-6-14(7-5-12)17(19,20)21/h1-7H,8-11H2.
What are the key properties of 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 325.76 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 150974005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).