2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine

C16H26N2O2 — CID 66179221

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCc2ccccc2C1)OC
InChIInChI=1S/C16H26N2O2/c1-16(12-17,10-15(19-2)20-3)18-9-8-13-6-4-5-7-14(13)11-18/h4-7,15H,8-12,17H2,1-3H3
InChIKeyMKGJDQKTVTURCG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine (PubChem CID 66179221) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine
PubChem CID66179221
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCc2ccccc2C1)OC
InChIInChI=1S/C16H26N2O2/c1-16(12-17,10-15(19-2)20-3)18-9-8-13-6-4-5-7-14(13)11-18/h4-7,15H,8-12,17H2,1-3H3
InChIKeyMKGJDQKTVTURCG-UHFFFAOYSA-N
XLogP1.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 66180815
2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181007
2-[2-(disulfanyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline
CID 167068168
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoyl chloride
CID 39255650
2-(2,2-dimethoxyethyl)-1,3-dihydroisoindole
CID 66223848
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 111055439
2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114831353
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
CID 62263973
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]butanamide
CID 119850056
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
CID 60846487

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine (CID 66179221) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine is COC(CC(C)(CN)N1CCc2ccccc2C1)OC.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The InChIKey is MKGJDQKTVTURCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(12-17,10-15(19-2)20-3)18-9-8-13-6-4-5-7-14(13)11-18/h4-7,15H,8-12,17H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 66179221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).