4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

C16H15Cl2NO — CID 66788063

IUPAC4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CNCC2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-20-12-3-4-13-11(6-12)8-19-9-14(13)10-2-5-15(17)16(18)7-10/h2-7,14,19H,8-9H2,1H3
InChIKeyXAZDWYUYONZKJN-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.24
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66788063) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID66788063
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CNCC2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-20-12-3-4-13-11(6-12)8-19-9-14(13)10-2-5-15(17)16(18)7-10/h2-7,14,19H,8-9H2,1H3
InChIKeyXAZDWYUYONZKJN-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 66788063) is 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CNCC2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XAZDWYUYONZKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-20-12-3-4-13-11(6-12)8-19-9-14(13)10-2-5-15(17)16(18)7-10/h2-7,14,19H,8-9H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 308.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66788063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).