(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine

C13H20N2 — CID 9168642

IUPAC(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCCN(CC)[C@H]1CNCc2ccccc21
InChIInChI=1S/C13H20N2/c1-3-15(4-2)13-10-14-9-11-7-5-6-8-12(11)13/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyBIIIFPBHTGUANM-ZDUSSCGKSA-N
MW204.32 g/mol
LogP2.17
Rot. Bonds3

About (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine

(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 9168642) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound Name(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID9168642
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCCN(CC)[C@H]1CNCc2ccccc21
InChIInChI=1S/C13H20N2/c1-3-15(4-2)13-10-14-9-11-7-5-6-8-12(11)13/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyBIIIFPBHTGUANM-ZDUSSCGKSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168750
(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168755
(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
CID 9170136
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63982759
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
CID 65262124
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine
CID 63940726
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939949
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939368
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 81056408
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 9168642) is (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine is CCN(CC)[C@H]1CNCc2ccccc21.
What is the InChIKey of (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is BIIIFPBHTGUANM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(4-2)13-10-14-9-11-7-5-6-8-12(11)13/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 9168642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).