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

C14H23NO — CID 67732797

IUPAC1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
SMILESCC1CC(C)(C)N(C(C)O)C2=CC=CCC21
InChIInChI=1S/C14H23NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKeyQSBBWPYFWZJQPV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.91
Rot. Bonds1

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

1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol (PubChem CID 67732797) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
PubChem CID67732797
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
SMILESCC1CC(C)(C)N(C(C)O)C2=CC=CCC21
InChIInChI=1S/C14H23NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKeyQSBBWPYFWZJQPV-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.91
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-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The IUPAC name of 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol (CID 67732797) is 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The canonical SMILES for 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol is CC1CC(C)(C)N(C(C)O)C2=CC=CCC21.
What is the InChIKey of 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The InChIKey is QSBBWPYFWZJQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-6,8,10-12,16H,7,9H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
1-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.91, 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-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 67732797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).