methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C15H22N2O2 — CID 83956784

IUPACmethyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCCNCc1ccc2c(c1)CC(C)N(C(=O)OC)C2
InChIInChI=1S/C15H22N2O2/c1-4-16-9-12-5-6-13-10-17(15(18)19-3)11(2)7-14(13)8-12/h5-6,8,11,16H,4,7,9-10H2,1-3H3
InChIKeyAMBQHWPJFADICD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds3

About methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 83956784) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID83956784
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCCNCc1ccc2c(c1)CC(C)N(C(=O)OC)C2
InChIInChI=1S/C15H22N2O2/c1-4-16-9-12-5-6-13-10-17(15(18)19-3)11(2)7-14(13)8-12/h5-6,8,11,16H,4,7,9-10H2,1-3H3
InChIKeyAMBQHWPJFADICD-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-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

methyl 6-[(3-hydroxypropylamino)methyl]-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956778
ethyl 6-(ethylaminomethyl)-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957239
1-(7-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138536083
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163806
N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163854
2,2,2-trifluoro-N-[[3-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]ethanamine
CID 83956694
2-(4-methoxyphenyl)-1-(7-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)ethanone
CID 110727590
ethyl 7-ethoxy-3-methyl-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957294
4-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82163845
2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82163847
2-(3,4-dimethoxyphenyl)-1-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110750150

Frequently Asked Questions

What is the IUPAC name of methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 83956784) is methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is CCNCc1ccc2c(c1)CC(C)N(C(=O)OC)C2.
What is the InChIKey of methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is AMBQHWPJFADICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-16-9-12-5-6-13-10-17(15(18)19-3)11(2)7-14(13)8-12/h5-6,8,11,16H,4,7,9-10H2,1-3H3.
What are the key properties of methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(ethylaminomethyl)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 83956784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).