N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C15H24N2O — CID 103142429

IUPACN-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCCOCCN(CC)c1cccc2c1CNCC2
InChIInChI=1S/C15H24N2O/c1-3-17(10-11-18-4-2)15-7-5-6-13-8-9-16-12-14(13)15/h5-7,16H,3-4,8-12H2,1-2H3
InChIKeyMRDAOZKPWHFOGE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds6

About N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine

N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 103142429) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID103142429
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCCOCCN(CC)c1cccc2c1CNCC2
InChIInChI=1S/C15H24N2O/c1-3-17(10-11-18-4-2)15-7-5-6-13-8-9-16-12-14(13)15/h5-7,16H,3-4,8-12H2,1-2H3
InChIKeyMRDAOZKPWHFOGE-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82937646
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582888
N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142185
N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214501
N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214895
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142297
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
3-chloro-N-(2-ethoxyethyl)-N-ethyl-2-nitroaniline
CID 113459306

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 103142429) is N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine is CCOCCN(CC)c1cccc2c1CNCC2.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is MRDAOZKPWHFOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(10-11-18-4-2)15-7-5-6-13-8-9-16-12-14(13)15/h5-7,16H,3-4,8-12H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 248.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 103142429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).