N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine

C16H23N3O — CID 106775669

IUPACN-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
SMILESCCN(CCOC)c1ncc(CNC)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-4-19(9-10-20-3)16-15-8-6-5-7-14(15)13(11-17-2)12-18-16/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyMHLFTFFGVOLTRH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.43
Rot. Bonds7

About N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine

N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine (PubChem CID 106775669) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
PubChem CID106775669
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
SMILESCCN(CCOC)c1ncc(CNC)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-4-19(9-10-20-3)16-15-8-6-5-7-14(15)13(11-17-2)12-18-16/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyMHLFTFFGVOLTRH-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216195
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
N-methyl-4-(methylaminomethyl)-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775168
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine (CID 106775669) is N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine is CCN(CCOC)c1ncc(CNC)c2ccccc12.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine?
The InChIKey is MHLFTFFGVOLTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(9-10-20-3)16-15-8-6-5-7-14(15)13(11-17-2)12-18-16/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine?
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 106775669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).