2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine

C17H20N2O — CID 82581674

IUPAC2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(CCOc1ccccc1)CC2
InChIInChI=1S/C17H20N2O/c18-17-8-4-5-14-9-10-19(13-16(14)17)11-12-20-15-6-2-1-3-7-15/h1-8H,9-13,18H2
InChIKeyBUFSUVILOPBMII-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 82581674) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID82581674
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(CCOc1ccccc1)CC2
InChIInChI=1S/C17H20N2O/c18-17-8-4-5-14-9-10-19(13-16(14)17)11-12-20-15-6-2-1-3-7-15/h1-8H,9-13,18H2
InChIKeyBUFSUVILOPBMII-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
CID 82581546
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
3-methyl-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 82581834
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524044
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
CID 114523973

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 82581674) is 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(CCOc1ccccc1)CC2.
What is the InChIKey of 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is BUFSUVILOPBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-17-8-4-5-14-9-10-19(13-16(14)17)11-12-20-15-6-2-1-3-7-15/h1-8H,9-13,18H2.
What are the key properties of 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 268.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 82581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).