3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol

C16H23NO2 — CID 103826324

IUPAC3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1coc2ccccc12
InChIInChI=1S/C16H23NO2/c1-2-5-13(8-9-18)10-17-11-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-18H,2,5,8-11H2,1H3
InChIKeyMEEDZDGGJBFMMJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds8

About 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol

3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol (PubChem CID 103826324) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
PubChem CID103826324
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1coc2ccccc12
InChIInChI=1S/C16H23NO2/c1-2-5-13(8-9-18)10-17-11-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-18H,2,5,8-11H2,1H3
InChIKeyMEEDZDGGJBFMMJ-UHFFFAOYSA-N
XLogP3.32
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-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

N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
2-[(1-benzofuran-3-ylmethylamino)methyl]-3-methylbutanoic acid
CID 115250348
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
CID 80702779
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol (CID 103826324) is 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol is CCCC(CCO)CNCc1coc2ccccc12.
What is the InChIKey of 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is MEEDZDGGJBFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-5-13(8-9-18)10-17-11-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-18H,2,5,8-11H2,1H3.
What are the key properties of 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol?
3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 103826324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).