2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline

C21H25NO — CID 141020951

IUPAC2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCOc1cccc3c1CCCC3)C2
InChIInChI=1S/C21H25NO/c1-2-8-19-16-22(13-12-17(19)6-1)14-15-23-21-11-5-9-18-7-3-4-10-20(18)21/h1-2,5-6,8-9,11H,3-4,7,10,12-16H2
InChIKeyVLPJHEAZMQIDPG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline

2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 141020951) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID141020951
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(CCOc1cccc3c1CCCC3)C2
InChIInChI=1S/C21H25NO/c1-2-8-19-16-22(13-12-17(19)6-1)14-15-23-21-11-5-9-18-7-3-4-10-20(18)21/h1-2,5-6,8-9,11H,3-4,7,10,12-16H2
InChIKeyVLPJHEAZMQIDPG-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 1305271
2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 142643854
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one
CID 94698119
7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one
CID 10688703
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
(2R)-8-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25059790
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 2944173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline (CID 141020951) is 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(CCOc1cccc3c1CCCC3)C2.
What is the InChIKey of 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is VLPJHEAZMQIDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-8-19-16-22(13-12-17(19)6-1)14-15-23-21-11-5-9-18-7-3-4-10-20(18)21/h1-2,5-6,8-9,11H,3-4,7,10,12-16H2.
What are the key properties of 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 307.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141020951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).