methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

C14H21NO3 — CID 91129001

IUPACmethoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SMILESCOC.COC(=O)C1Cc2ccccc2CN1C
InChIInChI=1S/C12H15NO2.C2H6O/c1-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15-2;1-3-2/h3-6,11H,7-8H2,1-2H3;1-2H3
InChIKeyICYFUUIWKRDJIH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds1

About methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate (PubChem CID 91129001) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
PubChem CID91129001
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SMILESCOC.COC(=O)C1Cc2ccccc2CN1C
InChIInChI=1S/C12H15NO2.C2H6O/c1-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15-2;1-3-2/h3-6,11H,7-8H2,1-2H3;1-2H3
InChIKeyICYFUUIWKRDJIH-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate 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

N,N-dimethylmethanamine;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91526196
methyl (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 101383894
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666
methyl 2-[2-[(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]prop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 70057574
2-O-tert-butyl 3-O-methyl (3S)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
CID 15500146
methyl (3R)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 2465943
3-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]propane-1-sulfonic acid
CID 9494237
1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)ethanethione
CID 88885145
methyl 2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112799975
methyl 2-(2-iodobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 78824654
2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 58142666
methyl 2-[2-(azepan-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 86908624

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
The IUPAC name of methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate (CID 91129001) is methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.
What is the SMILES notation for methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
The canonical SMILES for methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate is COC.COC(=O)C1Cc2ccccc2CN1C.
What is the InChIKey of methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
The InChIKey is ICYFUUIWKRDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H6O/c1-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15-2;1-3-2/h3-6,11H,7-8H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate is sourced from PubChem (CID 91129001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).