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

C14H21NO — CID 65041637

IUPAC2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
SMILESCC(C)(C)C(O)C1CCc2ccccc2N1
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)12-9-8-10-6-4-5-7-11(10)15-12/h4-7,12-13,15-16H,8-9H2,1-3H3
InChIKeyFWAUDRFFWMPQHM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds1

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

2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol (PubChem CID 65041637) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
PubChem CID65041637
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
SMILESCC(C)(C)C(O)C1CCc2ccccc2N1
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)12-9-8-10-6-4-5-7-11(10)15-12/h4-7,12-13,15-16H,8-9H2,1-3H3
InChIKeyFWAUDRFFWMPQHM-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol (CID 65041637) is 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol is CC(C)(C)C(O)C1CCc2ccccc2N1.
What is the InChIKey of 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol?
The InChIKey is FWAUDRFFWMPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)13(16)12-9-8-10-6-4-5-7-11(10)15-12/h4-7,12-13,15-16H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol?
2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol is sourced from PubChem (CID 65041637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).