N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine

C15H24N2O — CID 81056408

IUPACN-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCC(C)OCCN(C)C1CNCc2ccccc21
InChIInChI=1S/C15H24N2O/c1-12(2)18-9-8-17(3)15-11-16-10-13-6-4-5-7-14(13)15/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyBIOHSZMWFRXHTI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine

N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 81056408) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID81056408
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCC(C)OCCN(C)C1CNCc2ccccc21
InChIInChI=1S/C15H24N2O/c1-12(2)18-9-8-17(3)15-11-16-10-13-6-4-5-7-14(13)15/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyBIOHSZMWFRXHTI-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831
(1,2,3,4-Tetrahydroisoquinolin-3-YL)methanamine
CID 11041026
1-(Methylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
CID 43187900
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 81056408) is N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine is CC(C)OCCN(C)C1CNCc2ccccc21.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is BIOHSZMWFRXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)18-9-8-17(3)15-11-16-10-13-6-4-5-7-14(13)15/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 81056408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).