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

C17H19NO — CID 62375582

IUPAC3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccc(OCc3ccccc3)cc2CN1
InChIInChI=1S/C17H19NO/c1-13-9-15-7-8-17(10-16(15)11-18-13)19-12-14-5-3-2-4-6-14/h2-8,10,13,18H,9,11-12H2,1H3
InChIKeyKFMDORGISZOVMG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.30
Rot. Bonds3

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

3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62375582) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID62375582
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccc(OCc3ccccc3)cc2CN1
InChIInChI=1S/C17H19NO/c1-13-9-15-7-8-17(10-16(15)11-18-13)19-12-14-5-3-2-4-6-14/h2-8,10,13,18H,9,11-12H2,1H3
InChIKeyKFMDORGISZOVMG-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 166452154
3-methyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018514
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
(3aR,9bR)-7-phenylmethoxy-1,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]isoquinolin-2-one
CID 10880932
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 62375582) is 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is CC1Cc2ccc(OCc3ccccc3)cc2CN1.
What is the InChIKey of 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KFMDORGISZOVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-9-15-7-8-17(10-16(15)11-18-13)19-12-14-5-3-2-4-6-14/h2-8,10,13,18H,9,11-12H2,1H3.
What are the key properties of 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 253.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62375582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).