1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C21H24ClNO — CID 22406815

IUPAC1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)C(C1(c3ccccc3Cl)CCC1)N(C)CC2
InChIInChI=1S/C21H24ClNO/c1-23-13-10-15-8-9-16(24-2)14-17(15)20(23)21(11-5-12-21)18-6-3-4-7-19(18)22/h3-4,6-9,14,20H,5,10-13H2,1-2H3
InChIKeyCHDIFLNZKNEJDV-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.00
Rot. Bonds3

About 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 22406815) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID22406815
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)C(C1(c3ccccc3Cl)CCC1)N(C)CC2
InChIInChI=1S/C21H24ClNO/c1-23-13-10-15-8-9-16(24-2)14-17(15)20(23)21(11-5-12-21)18-6-3-4-7-19(18)22/h3-4,6-9,14,20H,5,10-13H2,1-2H3
InChIKeyCHDIFLNZKNEJDV-UHFFFAOYSA-N
XLogP5.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

1-[1-(2-bromophenyl)cyclobutyl]-6-chloro-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 67821198
1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 22406883
1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 22406733
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
1-[1-(2,4-dichlorophenyl)cyclobutyl]-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 22406712
(3S)-1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-3,7-diol
CID 70191655
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995809
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
6-methoxy-2-methyl-1-(1-naphthalen-1-ylcyclopropyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 22406827
1-[1-(4-chlorophenyl)cyclobutyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol;hydrobromide
CID 22406884
2-benzylsulfonyl-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 110289267
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 22406815) is 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)C(C1(c3ccccc3Cl)CCC1)N(C)CC2.
What is the InChIKey of 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CHDIFLNZKNEJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-23-13-10-15-8-9-16(24-2)14-17(15)20(23)21(11-5-12-21)18-6-3-4-7-19(18)22/h3-4,6-9,14,20H,5,10-13H2,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 341.88 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).