3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol

C19H32N2O2 — CID 83956373

IUPAC3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol
SMILESCCOc1cc2c(cc1CNCCCO)CCN(CC)C2CC
InChIInChI=1S/C19H32N2O2/c1-4-18-17-13-19(23-6-3)16(14-20-9-7-11-22)12-15(17)8-10-21(18)5-2/h12-13,18,20,22H,4-11,14H2,1-3H3
InChIKeyLDDJIJMPMPHVKT-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.89
Rot. Bonds9

About 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol

3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol (PubChem CID 83956373) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol
PubChem CID83956373
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol
SMILESCCOc1cc2c(cc1CNCCCO)CCN(CC)C2CC
InChIInChI=1S/C19H32N2O2/c1-4-18-17-13-19(23-6-3)16(14-20-9-7-11-22)12-15(17)8-10-21(18)5-2/h12-13,18,20,22H,4-11,14H2,1-3H3
InChIKeyLDDJIJMPMPHVKT-UHFFFAOYSA-N
XLogP2.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

2-[(1,2-diethyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]ethanol
CID 83957086
ethyl 7-ethoxy-6-[(3-hydroxypropylamino)methyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721840
ethyl 7-ethoxy-6-(ethylaminomethyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957283
5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]pentan-1-ol
CID 107302952
N-[(7-ethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956328
N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956346
4-[(7-ethoxy-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721481
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
CID 112721605
N-[(7-ethoxy-2,3-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956359
tert-butyl 6-[(3-hydroxypropylamino)methyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721797

Frequently Asked Questions

What is the IUPAC name of 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol (CID 83956373) is 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol is CCOc1cc2c(cc1CNCCCO)CCN(CC)C2CC.
What is the InChIKey of 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol?
The InChIKey is LDDJIJMPMPHVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-18-17-13-19(23-6-3)16(14-20-9-7-11-22)12-15(17)8-10-21(18)5-2/h12-13,18,20,22H,4-11,14H2,1-3H3.
What are the key properties of 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol?
3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol is sourced from PubChem (CID 83956373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).