1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C22H19Cl2NO — CID 4260900

IUPAC1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc(Cl)c1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H19Cl2NO/c23-19-7-4-8-20(24)21(19)22-18-10-9-17(13-16(18)11-12-25-22)26-14-15-5-2-1-3-6-15/h1-10,13,22,25H,11-12,14H2
InChIKeyGRVSWFBPGNBUHW-UHFFFAOYSA-N
MW384.31 g/mol
LogP5.81
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 4260900) has the molecular formula C22H19Cl2NO and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID4260900
Molecular FormulaC22H19Cl2NO
Molecular Weight384.31 g/mol
Exact Mass383.08
IUPAC Name1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc(Cl)c1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H19Cl2NO/c23-19-7-4-8-20(24)21(19)22-18-10-9-17(13-16(18)11-12-25-22)26-14-15-5-2-1-3-6-15/h1-10,13,22,25H,11-12,14H2
InChIKeyGRVSWFBPGNBUHW-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3964670
1-(2,6-dichlorophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5038370
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561
1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3473176
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1-(2,3-dichlorophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3375652
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 4260900) is 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is Clc1cccc(Cl)c1C1NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GRVSWFBPGNBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO/c23-19-7-4-8-20(24)21(19)22-18-10-9-17(13-16(18)11-12-25-22)26-14-15-5-2-1-3-6-15/h1-10,13,22,25H,11-12,14H2.
What are the key properties of 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 384.31 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 4260900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).