2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol

C16H25NO2 — CID 116713188

IUPAC2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
SMILESCOC(C(O)C1CCCc2cccnc21)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-16(2,3)15(19-4)14(18)12-9-5-7-11-8-6-10-17-13(11)12/h6,8,10,12,14-15,18H,5,7,9H2,1-4H3
InChIKeyPBTILZDOOUQFNC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol

2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol (PubChem CID 116713188) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
PubChem CID116713188
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
SMILESCOC(C(O)C1CCCc2cccnc21)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-16(2,3)15(19-4)14(18)12-9-5-7-11-8-6-10-17-13(11)12/h6,8,10,12,14-15,18H,5,7,9H2,1-4H3
InChIKeyPBTILZDOOUQFNC-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79746208
[2,2-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]hydrazine
CID 105203138
[2-ethoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butyl]hydrazine
CID 105273848
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
CID 115818295
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745215
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79733286
[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723636
2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 79732570

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol (CID 116713188) is 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol is COC(C(O)C1CCCc2cccnc21)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The InChIKey is PBTILZDOOUQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)15(19-4)14(18)12-9-5-7-11-8-6-10-17-13(11)12/h6,8,10,12,14-15,18H,5,7,9H2,1-4H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol is sourced from PubChem (CID 116713188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).