2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol

C16H22N2O — CID 81220593

IUPAC2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol
SMILESCc1ccc2cc(C(O)C(C)(C)N(C)C)ccc2n1
InChIInChI=1S/C16H22N2O/c1-11-6-7-12-10-13(8-9-14(12)17-11)15(19)16(2,3)18(4)5/h6-10,15,19H,1-5H3
InChIKeyUSAHQWQSOUPPOH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.92
Rot. Bonds3

About 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol

2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol (PubChem CID 81220593) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol
PubChem CID81220593
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol
SMILESCc1ccc2cc(C(O)C(C)(C)N(C)C)ccc2n1
InChIInChI=1S/C16H22N2O/c1-11-6-7-12-10-13(8-9-14(12)17-11)15(19)16(2,3)18(4)5/h6-10,15,19H,1-5H3
InChIKeyUSAHQWQSOUPPOH-UHFFFAOYSA-N
XLogP2.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol (CID 81220593) is 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol is Cc1ccc2cc(C(O)C(C)(C)N(C)C)ccc2n1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol?
The InChIKey is USAHQWQSOUPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-7-12-10-13(8-9-14(12)17-11)15(19)16(2,3)18(4)5/h6-10,15,19H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol?
2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 81220593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).