3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine

C17H28N2O2 — CID 104557423

IUPAC3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
SMILESCOCCCN(CCOC)Cc1cccc2c1CCNC2
InChIInChI=1S/C17H28N2O2/c1-20-11-4-9-19(10-12-21-2)14-16-6-3-5-15-13-18-8-7-17(15)16/h3,5-6,18H,4,7-14H2,1-2H3
InChIKeyGFMXBXYJBWPDRT-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.82
Rot. Bonds9

About 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine

3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine (PubChem CID 104557423) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
PubChem CID104557423
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
SMILESCOCCCN(CCOC)Cc1cccc2c1CCNC2
InChIInChI=1S/C17H28N2O2/c1-20-11-4-9-19(10-12-21-2)14-16-6-3-5-15-13-18-8-7-17(15)16/h3,5-6,18H,4,7-14H2,1-2H3
InChIKeyGFMXBXYJBWPDRT-UHFFFAOYSA-N
XLogP1.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557368
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
CID 62436682
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
CID 114327241
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104557449
N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82937646
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine (CID 104557423) is 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine is COCCCN(CCOC)Cc1cccc2c1CCNC2.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine?
The InChIKey is GFMXBXYJBWPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-20-11-4-9-19(10-12-21-2)14-16-6-3-5-15-13-18-8-7-17(15)16/h3,5-6,18H,4,7-14H2,1-2H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine?
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 104557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).