2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine

C15H20N4O — CID 106551994

IUPAC2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCOCCn1ccnc1N1CCc2c(N)cccc2C1
InChIInChI=1S/C15H20N4O/c1-20-10-9-18-8-6-17-15(18)19-7-5-13-12(11-19)3-2-4-14(13)16/h2-4,6,8H,5,7,9-11,16H2,1H3
InChIKeyOXYOOVPGAPFUMJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.67
Rot. Bonds4

About 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine

2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 106551994) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID106551994
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCOCCn1ccnc1N1CCc2c(N)cccc2C1
InChIInChI=1S/C15H20N4O/c1-20-10-9-18-8-6-17-15(18)19-7-5-13-12(11-19)3-2-4-14(13)16/h2-4,6,8H,5,7,9-11,16H2,1H3
InChIKeyOXYOOVPGAPFUMJ-UHFFFAOYSA-N
XLogP1.67
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-1-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103465020
2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
CID 62481027
2-(2-methoxyethylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 55014169
2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106552005
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 61015190
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179
1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553526
2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106822833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine (CID 106551994) is 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine is COCCn1ccnc1N1CCc2c(N)cccc2C1.
What is the InChIKey of 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is OXYOOVPGAPFUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-10-9-18-8-6-17-15(18)19-7-5-13-12(11-19)3-2-4-14(13)16/h2-4,6,8H,5,7,9-11,16H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 272.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 106551994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).