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

C14H23NO — CID 70635991

IUPAC2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
SMILESCC1CC(C)(C)N(CCO)C2=CC=CCC21
InChIInChI=1S/C14H23NO/c1-11-10-14(2,3)15(8-9-16)13-7-5-4-6-12(11)13/h4-5,7,11-12,16H,6,8-10H2,1-3H3
InChIKeySEXGCVQFPGOXDG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.56
Rot. Bonds2

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

2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol (PubChem CID 70635991) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
PubChem CID70635991
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
SMILESCC1CC(C)(C)N(CCO)C2=CC=CCC21
InChIInChI=1S/C14H23NO/c1-11-10-14(2,3)15(8-9-16)13-7-5-4-6-12(11)13/h4-5,7,11-12,16H,6,8-10H2,1-3H3
InChIKeySEXGCVQFPGOXDG-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.56
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-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The IUPAC name of 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol (CID 70635991) is 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The canonical SMILES for 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol is CC1CC(C)(C)N(CCO)C2=CC=CCC21.
What is the InChIKey of 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
The InChIKey is SEXGCVQFPGOXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-10-14(2,3)15(8-9-16)13-7-5-4-6-12(11)13/h4-5,7,11-12,16H,6,8-10H2,1-3H3.
What are the key properties of 2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol?
2-(2,2,4-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.56, 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-trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol is sourced from PubChem (CID 70635991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).