2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

C15H21NO2 — CID 114726820

IUPAC2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCc1ccc2oc(C(O)C(C)(C)N(C)C)cc2c1
InChIInChI=1S/C15H21NO2/c1-10-6-7-12-11(8-10)9-13(18-12)14(17)15(2,3)16(4)5/h6-9,14,17H,1-5H3
InChIKeyASEQRJKPDOVSEN-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.11
Rot. Bonds3

About 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114726820) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID114726820
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCc1ccc2oc(C(O)C(C)(C)N(C)C)cc2c1
InChIInChI=1S/C15H21NO2/c1-10-6-7-12-11(8-10)9-13(18-12)14(17)15(2,3)16(4)5/h6-9,14,17H,1-5H3
InChIKeyASEQRJKPDOVSEN-UHFFFAOYSA-N
XLogP3.11
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836405

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (CID 114726820) is 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is Cc1ccc2oc(C(O)C(C)(C)N(C)C)cc2c1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is ASEQRJKPDOVSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-12-11(8-10)9-13(18-12)14(17)15(2,3)16(4)5/h6-9,14,17H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 3.11, 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-(5-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114726820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).