2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol

C15H21NO2 — CID 115252002

IUPAC2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)c1coc2ccccc12
InChIInChI=1S/C15H21NO2/c1-11(2)12(9-17)8-16(3)14-10-18-15-7-5-4-6-13(14)15/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyWDXALSKXJDDDFZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.13
Rot. Bonds5

About 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol

2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol (PubChem CID 115252002) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
PubChem CID115252002
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)c1coc2ccccc12
InChIInChI=1S/C15H21NO2/c1-11(2)12(9-17)8-16(3)14-10-18-15-7-5-4-6-13(14)15/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyWDXALSKXJDDDFZ-UHFFFAOYSA-N
XLogP3.13
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
CID 115188587
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol (CID 115252002) is 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol is CC(C)C(CO)CN(C)c1coc2ccccc12.
What is the InChIKey of 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol?
The InChIKey is WDXALSKXJDDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)12(9-17)8-16(3)14-10-18-15-7-5-4-6-13(14)15/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol?
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).