N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine

C15H24N2O — CID 62575146

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCN1CCc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-18-12-4-8-16-9-11-17-10-7-14-5-2-3-6-15(14)13-17/h2-3,5-6,16H,4,7-13H2,1H3
InChIKeyRHCZQPUUTMDJOY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.67
Rot. Bonds7

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 62575146) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID62575146
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCN1CCc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-18-12-4-8-16-9-11-17-10-7-14-5-2-3-6-15(14)13-17/h2-3,5-6,16H,4,7-13H2,1H3
InChIKeyRHCZQPUUTMDJOY-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentan-1-amine
CID 62573872
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62424621
N-(3-methoxypropyl)-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947012
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-2-oxoacetamide
CID 108506402
methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 10955041
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110939681

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine (CID 62575146) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine is COCCCNCCN1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is RHCZQPUUTMDJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-12-4-8-16-9-11-17-10-7-14-5-2-3-6-15(14)13-17/h2-3,5-6,16H,4,7-13H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62575146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).