1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C23H23NO — CID 11278912

IUPAC1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(COc2ccc(CC3NCCc4ccccc43)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-6-19(7-3-1)17-25-21-12-10-18(11-13-21)16-23-22-9-5-4-8-20(22)14-15-24-23/h1-13,23-24H,14-17H2
InChIKeyHBNSSOFBPSDUPX-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.70
Rot. Bonds5

About 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 11278912) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID11278912
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(COc2ccc(CC3NCCc4ccccc43)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-6-19(7-3-1)17-25-21-12-10-18(11-13-21)16-23-22-9-5-4-8-20(22)14-15-24-23/h1-13,23-24H,14-17H2
InChIKeyHBNSSOFBPSDUPX-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 46842656
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438
1-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 82922334
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
1-benzyl-7-octoxy-1,2,3,4-tetrahydroisoquinoline
CID 141386666
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 11278912) is 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is c1ccc(COc2ccc(CC3NCCc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HBNSSOFBPSDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-6-19(7-3-1)17-25-21-12-10-18(11-13-21)16-23-22-9-5-4-8-20(22)14-15-24-23/h1-13,23-24H,14-17H2.
What are the key properties of 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 329.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 11278912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).