(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine

C17H28N2O — CID 9169656

IUPAC(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCCCN(CCC)[C@H]1CNCc2cc(OCC)ccc21
InChIInChI=1S/C17H28N2O/c1-4-9-19(10-5-2)17-13-18-12-14-11-15(20-6-3)7-8-16(14)17/h7-8,11,17-18H,4-6,9-10,12-13H2,1-3H3/t17-/m0/s1
InChIKeyIMSXEDIIELSPSP-KRWDZBQOSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds7

About (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine

(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 9169656) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound Name(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID9169656
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCCCN(CCC)[C@H]1CNCc2cc(OCC)ccc21
InChIInChI=1S/C17H28N2O/c1-4-9-19(10-5-2)17-13-18-12-14-11-15(20-6-3)7-8-16(14)17/h7-8,11,17-18H,4-6,9-10,12-13H2,1-3H3/t17-/m0/s1
InChIKeyIMSXEDIIELSPSP-KRWDZBQOSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82129109
(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
CID 9170054
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
CID 9170136
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169609
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422

Frequently Asked Questions

What is the IUPAC name of (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 9169656) is (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine is CCCN(CCC)[C@H]1CNCc2cc(OCC)ccc21.
What is the InChIKey of (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is IMSXEDIIELSPSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-9-19(10-5-2)17-13-18-12-14-11-15(20-6-3)7-8-16(14)17/h7-8,11,17-18H,4-6,9-10,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 9169656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).