2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline

C18H21NO — CID 82092299

IUPAC2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccccc1OCCN1CCc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-15-6-2-5-9-18(15)20-13-12-19-11-10-16-7-3-4-8-17(16)14-19/h2-9H,10-14H2,1H3
InChIKeyUIENIHGXUBNEOH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.43
Rot. Bonds4

About 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline

2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 82092299) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID82092299
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccccc1OCCN1CCc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-15-6-2-5-9-18(15)20-13-12-19-11-10-16-7-3-4-8-17(16)14-19/h2-9H,10-14H2,1H3
InChIKeyUIENIHGXUBNEOH-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 1305271
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 2944173
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 142643854
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
5-[2-(2-methylphenoxy)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505406
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]methanethione
CID 126201911
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline (CID 82092299) is 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline is Cc1ccccc1OCCN1CCc2ccccc2C1.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is UIENIHGXUBNEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-15-6-2-5-9-18(15)20-13-12-19-11-10-16-7-3-4-8-17(16)14-19/h2-9H,10-14H2,1H3.
What are the key properties of 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 82092299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).