5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C17H19NO — CID 106778058

IUPAC5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccccc1Cc1cccc2c1CCNC2
InChIInChI=1S/C17H19NO/c1-19-17-8-3-2-5-14(17)11-13-6-4-7-15-12-18-10-9-16(13)15/h2-8,18H,9-12H2,1H3
InChIKeyIEYDPOMKGVIXPH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.93
Rot. Bonds3

About 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106778058) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106778058
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccccc1Cc1cccc2c1CCNC2
InChIInChI=1S/C17H19NO/c1-19-17-8-3-2-5-14(17)11-13-6-4-7-15-12-18-10-9-16(13)15/h2-8,18H,9-12H2,1H3
InChIKeyIEYDPOMKGVIXPH-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557368
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106778058) is 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1ccccc1Cc1cccc2c1CCNC2.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IEYDPOMKGVIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-8-3-2-5-14(17)11-13-6-4-7-15-12-18-10-9-16(13)15/h2-8,18H,9-12H2,1H3.
What are the key properties of 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 253.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106778058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).