6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine

C17H27N3O2 — CID 166485937

IUPAC6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCN(C)CCOc1cc2c(c(N[C@@H]3CCOC3)c1)CNCC2
InChIInChI=1S/C17H27N3O2/c1-20(2)6-8-22-15-9-13-3-5-18-11-16(13)17(10-15)19-14-4-7-21-12-14/h9-10,14,18-19H,3-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyROBLDXPSNALCJJ-CQSZACIVSA-N
MW305.42 g/mol
LogP1.47
Rot. Bonds6

About 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine

6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 166485937) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID166485937
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCN(C)CCOc1cc2c(c(N[C@@H]3CCOC3)c1)CNCC2
InChIInChI=1S/C17H27N3O2/c1-20(2)6-8-22-15-9-13-3-5-18-11-16(13)17(10-15)19-14-4-7-21-12-14/h9-10,14,18-19H,3-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyROBLDXPSNALCJJ-CQSZACIVSA-N
XLogP1.47
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine with MolForge

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Related Compounds

(2,4-dihydroxy-6-phenylmethoxyphenyl)-[6-[2-(dimethylamino)ethoxy]-8-[[(3R)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166486033
2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
CID 175827613
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
CID 54863857
N-(4-ethoxy-2-methylphenyl)oxolan-3-amine
CID 63335587
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504
methyl 5-(3,5-difluorophenyl)sulfonyl-3-[[4-[2-(dimethylamino)ethoxy]-2-(oxan-4-ylamino)benzoyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate
CID 44519140
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 4646873
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
N-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-[2-(dimethylamino)ethoxy]-2-(oxan-4-ylamino)benzamide
CID 67009372
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 166485937) is 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine is CN(C)CCOc1cc2c(c(N[C@@H]3CCOC3)c1)CNCC2.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is ROBLDXPSNALCJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(2)6-8-22-15-9-13-3-5-18-11-16(13)17(10-15)19-14-4-7-21-12-14/h9-10,14,18-19H,3-8,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine?
6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 305.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 166485937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).