5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline

C12H17NO — CID 54421275

IUPAC5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOCc1cccc2c1CCNC2
InChIInChI=1S/C12H17NO/c1-2-14-9-11-5-3-4-10-8-13-7-6-12(10)11/h3-5,13H,2,6-9H2,1H3
InChIKeyWAYWIBGVGOAIPL-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.87
Rot. Bonds3

About 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline

5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 54421275) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID54421275
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOCc1cccc2c1CCNC2
InChIInChI=1S/C12H17NO/c1-2-14-9-11-5-3-4-10-8-13-7-6-12(10)11/h3-5,13H,2,6-9H2,1H3
InChIKeyWAYWIBGVGOAIPL-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82937646
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
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-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557620

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline (CID 54421275) is 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline is CCOCc1cccc2c1CCNC2.
What is the InChIKey of 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WAYWIBGVGOAIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-9-11-5-3-4-10-8-13-7-6-12(10)11/h3-5,13H,2,6-9H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 191.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 54421275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).