N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine

C17H28N2O — CID 83956346

IUPACN-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc2c(cc1OCC)CN(CC)C(C)C2
InChIInChI=1S/C17H28N2O/c1-5-18-11-15-9-14-8-13(4)19(6-2)12-16(14)10-17(15)20-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyDQFGZRHDYDIDQH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.96
Rot. Bonds6

About N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine

N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine (PubChem CID 83956346) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
PubChem CID83956346
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc2c(cc1OCC)CN(CC)C(C)C2
InChIInChI=1S/C17H28N2O/c1-5-18-11-15-9-14-8-13(4)19(6-2)12-16(14)10-17(15)20-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyDQFGZRHDYDIDQH-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
CID 112721484
N-[(7-ethoxy-2,3-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956359
ethyl 6-(ethylaminomethyl)-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957239
ethyl 7-ethoxy-3-methyl-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957294
7-ethoxy-3-methyl-6-(piperidin-1-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline
CID 112721505
7-ethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956299
ethyl 7-ethoxy-6-(ethylaminomethyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957283
ethyl 3-ethyl-6-(ethylaminomethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957246
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
3-[(7-ethoxy-1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)methylamino]propan-1-ol
CID 83956373
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2,2-dimethoxyethanamine
CID 60657411
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methylbutan-1-ol
CID 66092202

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine (CID 83956346) is N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine is CCNCc1cc2c(cc1OCC)CN(CC)C(C)C2.
What is the InChIKey of N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The InChIKey is DQFGZRHDYDIDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-11-15-9-14-8-13(4)19(6-2)12-16(14)10-17(15)20-7-3/h9-10,13,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethoxy-2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 83956346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).