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

C23H23NO — CID 1305271

IUPAC2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(-c2ccccc2OCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H23NO/c1-2-9-20(10-3-1)22-12-6-7-13-23(22)25-17-16-24-15-14-19-8-4-5-11-21(19)18-24/h1-13H,14-18H2
InChIKeyNFROREFQWKJXAY-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.79
Rot. Bonds5

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

2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 1305271) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID1305271
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(-c2ccccc2OCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H23NO/c1-2-9-20(10-3-1)22-12-6-7-13-23(22)25-17-16-24-15-14-19-8-4-5-11-21(19)18-24/h1-13H,14-18H2
InChIKeyNFROREFQWKJXAY-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.79
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-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 142643854
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
1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2977898
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545
2-(2-pyrazolo[1,5-a]pyridin-2-yloxyethyl)-3,4-dihydro-1H-isoquinoline
CID 71712147
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
2-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 901226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline (CID 1305271) is 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline is c1ccc(-c2ccccc2OCCN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is NFROREFQWKJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-9-20(10-3-1)22-12-6-7-13-23(22)25-17-16-24-15-14-19-8-4-5-11-21(19)18-24/h1-13H,14-18H2.
What are the key properties of 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 329.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 1305271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).