2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine

C12H18N2O — CID 84674560

IUPAC2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine
SMILESCN1CCc2c(cccc2OCCN)C1
InChIInChI=1S/C12H18N2O/c1-14-7-5-11-10(9-14)3-2-4-12(11)15-8-6-13/h2-4H,5-9,13H2,1H3
InChIKeyMPWLJCDKXIXNRW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.01
Rot. Bonds3

About 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine

2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine (PubChem CID 84674560) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine
PubChem CID84674560
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine
SMILESCN1CCc2c(cccc2OCCN)C1
InChIInChI=1S/C12H18N2O/c1-14-7-5-11-10(9-14)3-2-4-12(11)15-8-6-13/h2-4H,5-9,13H2,1H3
InChIKeyMPWLJCDKXIXNRW-UHFFFAOYSA-N
XLogP1.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine with MolForge

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Related Compounds

5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxymethyl]benzonitrile
CID 18695678
tert-butyl 8-(2-aminoethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 162343736
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583
actinium;(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)azanide
CID 20633083
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol
CID 105457923
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine?
The IUPAC name of 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine (CID 84674560) is 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine?
The canonical SMILES for 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine is CN1CCc2c(cccc2OCCN)C1.
What is the InChIKey of 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine?
The InChIKey is MPWLJCDKXIXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-5-11-10(9-14)3-2-4-12(11)15-8-6-13/h2-4H,5-9,13H2,1H3.
What are the key properties of 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine?
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine is sourced from PubChem (CID 84674560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).