2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol

C14H21NO2 — CID 81216858

IUPAC2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol
SMILESCC(C)(CO)COC1CCc2ccccc2N1
InChIInChI=1S/C14H21NO2/c1-14(2,9-16)10-17-13-8-7-11-5-3-4-6-12(11)15-13/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyYIUOBGRKGAYVBU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds4

About 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol

2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol (PubChem CID 81216858) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol
PubChem CID81216858
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol
SMILESCC(C)(CO)COC1CCc2ccccc2N1
InChIInChI=1S/C14H21NO2/c1-14(2,9-16)10-17-13-8-7-11-5-3-4-6-12(11)15-13/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyYIUOBGRKGAYVBU-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol (CID 81216858) is 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol is CC(C)(CO)COC1CCc2ccccc2N1.
What is the InChIKey of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol?
The InChIKey is YIUOBGRKGAYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,9-16)10-17-13-8-7-11-5-3-4-6-12(11)15-13/h3-6,13,15-16H,7-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol?
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yloxy)propan-1-ol is sourced from PubChem (CID 81216858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).