3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline

C14H20N2O — CID 105491573

IUPAC3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CNC(CN1CCC1)C2
InChIInChI=1S/C14H20N2O/c1-17-14-5-2-4-11-8-12(15-9-13(11)14)10-16-6-3-7-16/h2,4-5,12,15H,3,6-10H2,1H3
InChIKeyRQAWVBBWHCATDU-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.42
Rot. Bonds3

About 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline

3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 105491573) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID105491573
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CNC(CN1CCC1)C2
InChIInChI=1S/C14H20N2O/c1-17-14-5-2-4-11-8-12(15-9-13(11)14)10-16-6-3-7-16/h2,4-5,12,15H,3,6-10H2,1H3
InChIKeyRQAWVBBWHCATDU-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]morpholine
CID 151491731
3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 15697325
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
CID 169157721
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
3-[(4-tert-butylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 62085434
(3S)-3-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 121362848
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 120849067
4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 11440556
(3R)-3-[(4-benzylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 112736433
1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199152

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 105491573) is 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1cccc2c1CNC(CN1CCC1)C2.
What is the InChIKey of 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RQAWVBBWHCATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-14-5-2-4-11-8-12(15-9-13(11)14)10-16-6-3-7-16/h2,4-5,12,15H,3,6-10H2,1H3.
What are the key properties of 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline?
3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 105491573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).