5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine

C13H22N2O — CID 143839474

IUPAC5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
SMILESCNC.COCc1cccc2c1CCNC2
InChIInChI=1S/C11H15NO.C2H7N/c1-13-8-10-4-2-3-9-7-12-6-5-11(9)10;1-3-2/h2-4,12H,5-8H2,1H3;3H,1-2H3
InChIKeyKLKXMXMLIZBCQP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.31
Rot. Bonds2

About 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine

5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine (PubChem CID 143839474) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
PubChem CID143839474
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
SMILESCNC.COCc1cccc2c1CCNC2
InChIInChI=1S/C11H15NO.C2H7N/c1-13-8-10-4-2-3-9-7-12-6-5-11(9)10;1-3-2/h2-4,12H,5-8H2,1H3;3H,1-2H3
InChIKeyKLKXMXMLIZBCQP-UHFFFAOYSA-N
XLogP1.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
CID 104557485
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine?
The IUPAC name of 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine (CID 143839474) is 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine.
What is the SMILES notation for 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine?
The canonical SMILES for 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine is CNC.COCc1cccc2c1CCNC2.
What is the InChIKey of 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine?
The InChIKey is KLKXMXMLIZBCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H7N/c1-13-8-10-4-2-3-9-7-12-6-5-11(9)10;1-3-2/h2-4,12H,5-8H2,1H3;3H,1-2H3.
What are the key properties of 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine?
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine is sourced from PubChem (CID 143839474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).