N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine

C17H28N2O — CID 83957160

IUPACN-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
SMILESCCC1Cc2cc(CN(CC)CC)c(OC)cc2CN1
InChIInChI=1S/C17H28N2O/c1-5-16-9-13-8-15(12-19(6-2)7-3)17(20-4)10-14(13)11-18-16/h8,10,16,18H,5-7,9,11-12H2,1-4H3
InChIKeyFEWHSSXNAUJBSE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.96
Rot. Bonds6

About N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine

N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine (PubChem CID 83957160) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
PubChem CID83957160
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
SMILESCCC1Cc2cc(CN(CC)CC)c(OC)cc2CN1
InChIInChI=1S/C17H28N2O/c1-5-16-9-13-8-15(12-19(6-2)7-3)17(20-4)10-14(13)11-18-16/h8,10,16,18H,5-7,9,11-12H2,1-4H3
InChIKeyFEWHSSXNAUJBSE-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
CID 134425720
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol
CID 83957143
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62374074
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10882055
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170736167
N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine
CID 131912842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine (CID 83957160) is N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine is CCC1Cc2cc(CN(CC)CC)c(OC)cc2CN1.
What is the InChIKey of N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine?
The InChIKey is FEWHSSXNAUJBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-16-9-13-8-15(12-19(6-2)7-3)17(20-4)10-14(13)11-18-16/h8,10,16,18H,5-7,9,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine?
N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 83957160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).