1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C17H19NO — CID 62373258

IUPAC1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H19NO/c1-13-17-11-16(8-7-15(17)9-10-18-13)19-12-14-5-3-2-4-6-14/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyOGCXEUSPCWTAFN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.47
Rot. Bonds3

About 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62373258) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID62373258
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H19NO/c1-13-17-11-16(8-7-15(17)9-10-18-13)19-12-14-5-3-2-4-6-14/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyOGCXEUSPCWTAFN-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
CID 96989866
1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62496450
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 11278912
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 62373258) is 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OGCXEUSPCWTAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-17-11-16(8-7-15(17)9-10-18-13)19-12-14-5-3-2-4-6-14/h2-8,11,13,18H,9-10,12H2,1H3.
What are the key properties of 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 253.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62373258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).