2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol

C15H19NO — CID 81215900

IUPAC2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
SMILESCCC(C)C(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H19NO/c1-4-10(2)15(17)13-7-8-14-12(9-13)6-5-11(3)16-14/h5-10,15,17H,4H2,1-3H3
InChIKeyBGLHJOJVHAFOQO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol

2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol (PubChem CID 81215900) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
PubChem CID81215900
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
SMILESCCC(C)C(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H19NO/c1-4-10(2)15(17)13-7-8-14-12(9-13)6-5-11(3)16-14/h5-10,15,17H,4H2,1-3H3
InChIKeyBGLHJOJVHAFOQO-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid
CID 105379295
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
ethyl 2-[hydroxy-(2-methylquinolin-6-yl)methyl]butanoate
CID 105379517
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
CID 105379523
2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 116752573
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 116721227
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
[2-methyl-1-(2-methylquinolin-6-yl)pentyl]hydrazine
CID 105327228
[2-methyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105199572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol?
The IUPAC name of 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol (CID 81215900) is 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol is CCC(C)C(O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol?
The InChIKey is BGLHJOJVHAFOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-10(2)15(17)13-7-8-14-12(9-13)6-5-11(3)16-14/h5-10,15,17H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol?
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol is sourced from PubChem (CID 81215900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).