[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine

C18H22N2O — CID 82581546

IUPAC[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
SMILESNCc1cccc2c1CCN(CCOc1ccccc1)C2
InChIInChI=1S/C18H22N2O/c19-13-15-5-4-6-16-14-20(10-9-18(15)16)11-12-21-17-7-2-1-3-8-17/h1-8H,9-14,19H2
InChIKeyAFBRTSWEKKVIRC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.58
Rot. Bonds5

About [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine

[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine (PubChem CID 82581546) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
PubChem CID82581546
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
SMILESNCc1cccc2c1CCN(CCOc1ccccc1)C2
InChIInChI=1S/C18H22N2O/c19-13-15-5-4-6-16-14-20(10-9-18(15)16)11-12-21-17-7-2-1-3-8-17/h1-8H,9-14,19H2
InChIKeyAFBRTSWEKKVIRC-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
CID 82581532
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine?
The IUPAC name of [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine (CID 82581546) is [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine.
What is the SMILES notation for [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine?
The canonical SMILES for [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine is NCc1cccc2c1CCN(CCOc1ccccc1)C2.
What is the InChIKey of [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine?
The InChIKey is AFBRTSWEKKVIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-13-15-5-4-6-16-14-20(10-9-18(15)16)11-12-21-17-7-2-1-3-8-17/h1-8H,9-14,19H2.
What are the key properties of [2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine?
[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.58, 5 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-5-yl]methanamine is sourced from PubChem (CID 82581546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).