2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol

C12H19NO — CID 67783958

IUPAC2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol
SMILESCC1CC(C)(C)NC2=CC(O)=CCC21
InChIInChI=1S/C12H19NO/c1-8-7-12(2,3)13-11-6-9(14)4-5-10(8)11/h4,6,8,10,13-14H,5,7H2,1-3H3
InChIKeyBCMGYDFHVDGOEZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.74
Rot. Bonds

About 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol

2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol (PubChem CID 67783958) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol
PubChem CID67783958
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol
SMILESCC1CC(C)(C)NC2=CC(O)=CCC21
InChIInChI=1S/C12H19NO/c1-8-7-12(2,3)13-11-6-9(14)4-5-10(8)11/h4,6,8,10,13-14H,5,7H2,1-3H3
InChIKeyBCMGYDFHVDGOEZ-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol?
The IUPAC name of 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol (CID 67783958) is 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol.
What is the SMILES notation for 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol?
The canonical SMILES for 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol is CC1CC(C)(C)NC2=CC(O)=CCC21.
What is the InChIKey of 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol?
The InChIKey is BCMGYDFHVDGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-7-12(2,3)13-11-6-9(14)4-5-10(8)11/h4,6,8,10,13-14H,5,7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol?
2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol has a molecular weight of 193.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol is sourced from PubChem (CID 67783958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).