1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C17H18ClNO — CID 21075843

IUPAC1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2c1C(c1ccc(Cl)cc1)N(C)CC2
InChIInChI=1S/C17H18ClNO/c1-19-11-10-12-4-3-5-15(20-2)16(12)17(19)13-6-8-14(18)9-7-13/h3-9,17H,10-11H2,1-2H3
InChIKeyIYVCSSCQEZAPRN-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.93
Rot. Bonds2

About 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 21075843) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID21075843
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2c1C(c1ccc(Cl)cc1)N(C)CC2
InChIInChI=1S/C17H18ClNO/c1-19-11-10-12-4-3-5-15(20-2)16(12)17(19)13-6-8-14(18)9-7-13/h3-9,17H,10-11H2,1-2H3
InChIKeyIYVCSSCQEZAPRN-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 21075843) is 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cccc2c1C(c1ccc(Cl)cc1)N(C)CC2.
What is the InChIKey of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IYVCSSCQEZAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-11-10-12-4-3-5-15(20-2)16(12)17(19)13-6-8-14(18)9-7-13/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 21075843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).