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

C16H23NO2 — CID 115252165

IUPAC2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)Cc1coc2ccccc12
InChIInChI=1S/C16H23NO2/c1-12(2)13(10-18)8-17(3)9-14-11-19-16-7-5-4-6-15(14)16/h4-7,11-13,18H,8-10H2,1-3H3
InChIKeyQGPBWOXRANSKKY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds6

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

2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol (PubChem CID 115252165) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
PubChem CID115252165
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)Cc1coc2ccccc12
InChIInChI=1S/C16H23NO2/c1-12(2)13(10-18)8-17(3)9-14-11-19-16-7-5-4-6-15(14)16/h4-7,11-13,18H,8-10H2,1-3H3
InChIKeyQGPBWOXRANSKKY-UHFFFAOYSA-N
XLogP3.13
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-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

Related Compounds

2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 75377076

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol (CID 115252165) is 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol is CC(C)C(CO)CN(C)Cc1coc2ccccc12.
What is the InChIKey of 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol?
The InChIKey is QGPBWOXRANSKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)13(10-18)8-17(3)9-14-11-19-16-7-5-4-6-15(14)16/h4-7,11-13,18H,8-10H2,1-3H3.
What are the key properties of 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol?
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).