4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine

C12H18N2O — CID 163217063

IUPAC4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine
SMILESCOCC1(C)CNCc2cc(N)ccc21
InChIInChI=1S/C12H18N2O/c1-12(8-15-2)7-14-6-9-5-10(13)3-4-11(9)12/h3-5,14H,6-8,13H2,1-2H3
InChIKeyTWFYDZYMTOLCJQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.28
Rot. Bonds2

About 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine

4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine (PubChem CID 163217063) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine
PubChem CID163217063
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine
SMILESCOCC1(C)CNCc2cc(N)ccc21
InChIInChI=1S/C12H18N2O/c1-12(8-15-2)7-14-6-9-5-10(13)3-4-11(9)12/h3-5,14H,6-8,13H2,1-2H3
InChIKeyTWFYDZYMTOLCJQ-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine (CID 163217063) is 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine is COCC1(C)CNCc2cc(N)ccc21.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine?
The InChIKey is TWFYDZYMTOLCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(8-15-2)7-14-6-9-5-10(13)3-4-11(9)12/h3-5,14H,6-8,13H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine?
4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine has a molecular weight of 206.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 163217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).