1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C26H23NO — CID 3925916

IUPAC1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(COc2ccc3c(c2)CCNC3c2cccc3ccccc23)cc1
InChIInChI=1S/C26H23NO/c1-2-7-19(8-3-1)18-28-22-13-14-24-21(17-22)15-16-27-26(24)25-12-6-10-20-9-4-5-11-23(20)25/h1-14,17,26-27H,15-16,18H2
InChIKeyGKHCGBUGFKWTDR-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.65
Rot. Bonds4

About 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3925916) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3925916
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(COc2ccc3c(c2)CCNC3c2cccc3ccccc23)cc1
InChIInChI=1S/C26H23NO/c1-2-7-19(8-3-1)18-28-22-13-14-24-21(17-22)15-16-27-26(24)25-12-6-10-20-9-4-5-11-23(20)25/h1-14,17,26-27H,15-16,18H2
InChIKeyGKHCGBUGFKWTDR-UHFFFAOYSA-N
XLogP5.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
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-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3964670
1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3473176
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1-(2-ethoxy-3-methoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4694196
7-ethoxy-6-methoxy-1-(3-methoxy-2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933413
1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 11278912

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3925916) is 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is c1ccc(COc2ccc3c(c2)CCNC3c2cccc3ccccc23)cc1.
What is the InChIKey of 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GKHCGBUGFKWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-2-7-19(8-3-1)18-28-22-13-14-24-21(17-22)15-16-27-26(24)25-12-6-10-20-9-4-5-11-23(20)25/h1-14,17,26-27H,15-16,18H2.
What are the key properties of 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 365.48 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3925916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).