2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol

C17H28N2O2 — CID 83957086

IUPAC2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol
SMILESCCC1c2cc(OC)c(CNCCO)cc2CCN1CC
InChIInChI=1S/C17H28N2O2/c1-4-16-15-11-17(21-3)14(12-18-7-9-20)10-13(15)6-8-19(16)5-2/h10-11,16,18,20H,4-9,12H2,1-3H3
InChIKeyKCTQAIMCPDMTHJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.11
Rot. Bonds7

About 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol

2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol (PubChem CID 83957086) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol
PubChem CID83957086
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol
SMILESCCC1c2cc(OC)c(CNCCO)cc2CCN1CC
InChIInChI=1S/C17H28N2O2/c1-4-16-15-11-17(21-3)14(12-18-7-9-20)10-13(15)6-8-19(16)5-2/h10-11,16,18,20H,4-9,12H2,1-3H3
InChIKeyKCTQAIMCPDMTHJ-UHFFFAOYSA-N
XLogP2.11
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol with MolForge

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Related Compounds

3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol
CID 83956373
1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 3100778
tert-butyl 7-methoxy-1-methyl-6-(propylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721811
methyl 1-ethyl-6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721693
N-[(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzamide
CID 42825556
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 26338876
methyl 2-[(1S)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 94897706
tert-butyl 6-(aminomethyl)-1-ethyl-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957231
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
methyl 2-[(1S)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 7063225
ethyl (1S)-1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 122202729
ethyl 7-ethoxy-6-[(3-hydroxypropylamino)methyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721840

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol?
The IUPAC name of 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol (CID 83957086) is 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol is CCC1c2cc(OC)c(CNCCO)cc2CCN1CC.
What is the InChIKey of 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol?
The InChIKey is KCTQAIMCPDMTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-16-15-11-17(21-3)14(12-18-7-9-20)10-13(15)6-8-19(16)5-2/h10-11,16,18,20H,4-9,12H2,1-3H3.
What are the key properties of 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol?
2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol is sourced from PubChem (CID 83957086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).