2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine

C12H18N2O — CID 58289803

IUPAC2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCOCCN1CCc2cc(N)ccc2C1
InChIInChI=1S/C12H18N2O/c1-15-7-6-14-5-4-10-8-12(13)3-2-11(10)9-14/h2-3,8H,4-7,9,13H2,1H3
InChIKeyMNNGZDYGFVCNND-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine

2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine (PubChem CID 58289803) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine
PubChem CID58289803
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCOCCN1CCc2cc(N)ccc2C1
InChIInChI=1S/C12H18N2O/c1-15-7-6-14-5-4-10-8-12(13)3-2-11(10)9-14/h2-3,8H,4-7,9,13H2,1H3
InChIKeyMNNGZDYGFVCNND-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 82581602
2-(2-methoxyethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-amine
CID 18382595
2-[2-(methylaminosulfanyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 166120393
2-(4-methoxy-2,2-dimethylbutyl)-1,3-dihydroisoindol-5-amine
CID 114125042
tert-butyl N-[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 82581606
3-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82581927
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
propan-2-yl 3-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 54197305
2-(2,2-difluoro-3-methoxypropyl)-1,3-dihydroisoindol-5-amine
CID 125482224
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 55080824
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 91664637

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine?
The IUPAC name of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine (CID 58289803) is 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine?
The canonical SMILES for 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine is COCCN1CCc2cc(N)ccc2C1.
What is the InChIKey of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine?
The InChIKey is MNNGZDYGFVCNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-7-6-14-5-4-10-8-12(13)3-2-11(10)9-14/h2-3,8H,4-7,9,13H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine?
2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine has a molecular weight of 206.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 58289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).