1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol

C14H21NO — CID 23368968

IUPAC1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
SMILESCC1CC(C)(C)N(C(C)O)c2ccccc21
InChIInChI=1S/C14H21NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-8,10-11,16H,9H2,1-4H3
InChIKeyJCTWINNCMXUWRU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds1

About 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol

1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol (PubChem CID 23368968) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
PubChem CID23368968
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
SMILESCC1CC(C)(C)N(C(C)O)c2ccccc21
InChIInChI=1S/C14H21NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-8,10-11,16H,9H2,1-4H3
InChIKeyJCTWINNCMXUWRU-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol?
The IUPAC name of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol (CID 23368968) is 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol.
What is the SMILES notation for 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol?
The canonical SMILES for 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol is CC1CC(C)(C)N(C(C)O)c2ccccc21.
What is the InChIKey of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol?
The InChIKey is JCTWINNCMXUWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol?
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol is sourced from PubChem (CID 23368968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).