2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol

C15H25NO — CID 67684752

IUPAC2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
SMILESCC1=CCC2C(=C1)N(CCO)C(C)(C)CC2C
InChIInChI=1S/C15H25NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5,9,12-13,17H,6-8,10H2,1-4H3
InChIKeyQVLRXMWAQXRCPL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.95
Rot. Bonds2

About 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol

2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol (PubChem CID 67684752) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
PubChem CID67684752
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
SMILESCC1=CCC2C(=C1)N(CCO)C(C)(C)CC2C
InChIInChI=1S/C15H25NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5,9,12-13,17H,6-8,10H2,1-4H3
InChIKeyQVLRXMWAQXRCPL-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The IUPAC name of 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol (CID 67684752) is 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The canonical SMILES for 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol is CC1=CCC2C(=C1)N(CCO)C(C)(C)CC2C.
What is the InChIKey of 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The InChIKey is QVLRXMWAQXRCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5,9,12-13,17H,6-8,10H2,1-4H3.
What are the key properties of 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol has a molecular weight of 235.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,7-tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 67684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).