(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

C14H22N2O2 — CID 166627614

IUPAC(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN(C)CCOc1ccc2c(c1)[C@@H](O)CN(C)C2
InChIInChI=1S/C14H22N2O2/c1-15(2)6-7-18-12-5-4-11-9-16(3)10-14(17)13(11)8-12/h4-5,8,14,17H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyRLNPQKQJHCFHTA-AWEZNQCLSA-N
MW250.34 g/mol
LogP1.11
Rot. Bonds4

About (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166627614) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166627614
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN(C)CCOc1ccc2c(c1)[C@@H](O)CN(C)C2
InChIInChI=1S/C14H22N2O2/c1-15(2)6-7-18-12-5-4-11-9-16(3)10-14(17)13(11)8-12/h4-5,8,14,17H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyRLNPQKQJHCFHTA-AWEZNQCLSA-N
XLogP1.11
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 166627614) is (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is CN(C)CCOc1ccc2c(c1)[C@@H](O)CN(C)C2.
What is the InChIKey of (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is RLNPQKQJHCFHTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15(2)6-7-18-12-5-4-11-9-16(3)10-14(17)13(11)8-12/h4-5,8,14,17H,6-7,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 250.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166627614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).