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

C22H20BrNO — CID 3596969

IUPAC1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1ccccc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H20BrNO/c23-21-9-5-4-8-20(21)22-19-11-10-18(14-17(19)12-13-24-22)25-15-16-6-2-1-3-7-16/h1-11,14,22,24H,12-13,15H2
InChIKeyGZWIFNZSFMVMPJ-UHFFFAOYSA-N
MW394.31 g/mol
LogP5.26
Rot. Bonds4

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

1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3596969) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3596969
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC Name1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1ccccc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H20BrNO/c23-21-9-5-4-8-20(21)22-19-11-10-18(14-17(19)12-13-24-22)25-15-16-6-2-1-3-7-16/h1-11,14,22,24H,12-13,15H2
InChIKeyGZWIFNZSFMVMPJ-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 55.26
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-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
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-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3964670
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 11278912
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309
1-(5-bromo-2,4-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4240818
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3596969) is 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is Brc1ccccc1C1NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GZWIFNZSFMVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO/c23-21-9-5-4-8-20(21)22-19-11-10-18(14-17(19)12-13-24-22)25-15-16-6-2-1-3-7-16/h1-11,14,22,24H,12-13,15H2.
What are the key properties of 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 394.31 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3596969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).