3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol

C17H27NO2 — CID 103768906

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H27NO2/c1-5-17(4,8-9-19)18-12-13-6-7-15-14(10-13)11-16(2,3)20-15/h6-7,10,18-19H,5,8-9,11-12H2,1-4H3
InChIKeyOQZKGRHHYPZLKC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.04
Rot. Bonds6

About 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol

3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 103768906) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol
PubChem CID103768906
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H27NO2/c1-5-17(4,8-9-19)18-12-13-6-7-15-14(10-13)11-16(2,3)20-15/h6-7,10,18-19H,5,8-9,11-12H2,1-4H3
InChIKeyOQZKGRHHYPZLKC-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol (CID 103768906) is 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol is CCC(C)(CCO)NCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is OQZKGRHHYPZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-17(4,8-9-19)18-12-13-6-7-15-14(10-13)11-16(2,3)20-15/h6-7,10,18-19H,5,8-9,11-12H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol?
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 103768906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).