3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol

C14H21NO2 — CID 116995680

IUPAC3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
SMILESCOc1ccc2c(c1)CCN(C)C2CCCO
InChIInChI=1S/C14H21NO2/c1-15-8-7-11-10-12(17-2)5-6-13(11)14(15)4-3-9-16/h5-6,10,14,16H,3-4,7-9H2,1-2H3
InChIKeyTZYWRPZKQKLWLX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds4

About 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol

3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol (PubChem CID 116995680) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
PubChem CID116995680
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
SMILESCOc1ccc2c(c1)CCN(C)C2CCCO
InChIInChI=1S/C14H21NO2/c1-15-8-7-11-10-12(17-2)5-6-13(11)14(15)4-3-9-16/h5-6,10,14,16H,3-4,7-9H2,1-2H3
InChIKeyTZYWRPZKQKLWLX-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol?
The IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol (CID 116995680) is 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol?
The canonical SMILES for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol is COc1ccc2c(c1)CCN(C)C2CCCO.
What is the InChIKey of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol?
The InChIKey is TZYWRPZKQKLWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-8-7-11-10-12(17-2)5-6-13(11)14(15)4-3-9-16/h5-6,10,14,16H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol?
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol is sourced from PubChem (CID 116995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).