3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol

C15H23NO — CID 115401133

IUPAC3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
SMILESCC(C)(C)C(C)(O)C1CCc2ccccc2N1
InChIInChI=1S/C15H23NO/c1-14(2,3)15(4,17)13-10-9-11-7-5-6-8-12(11)16-13/h5-8,13,16-17H,9-10H2,1-4H3
InChIKeyHWJPAKBUSNTMNZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds1

About 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol

3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol (PubChem CID 115401133) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
PubChem CID115401133
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
SMILESCC(C)(C)C(C)(O)C1CCc2ccccc2N1
InChIInChI=1S/C15H23NO/c1-14(2,3)15(4,17)13-10-9-11-7-5-6-8-12(11)16-13/h5-8,13,16-17H,9-10H2,1-4H3
InChIKeyHWJPAKBUSNTMNZ-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol with MolForge

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Related Compounds

1-cyclohexyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 114794993
1-(methylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
CID 66037691
4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
CID 83076109
1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 65042148
3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol
CID 114079972
4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 66001867
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
CID 66038474
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
CID 65042828
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol
CID 81216858
2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
CID 65041637
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol (CID 115401133) is 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol is CC(C)(C)C(C)(O)C1CCc2ccccc2N1.
What is the InChIKey of 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The InChIKey is HWJPAKBUSNTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)15(4,17)13-10-9-11-7-5-6-8-12(11)16-13/h5-8,13,16-17H,9-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol is sourced from PubChem (CID 115401133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).