N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine

C14H20N2OS — CID 112665490

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1oc2ccccc2c1CN
InChIInChI=1S/C14H20N2OS/c1-16(7-8-18-2)10-14-12(9-15)11-5-3-4-6-13(11)17-14/h3-6H,7-10,15H2,1-2H3
InChIKeyJHGKJDZXDDNJEQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds6

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 112665490) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID112665490
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1oc2ccccc2c1CN
InChIInChI=1S/C14H20N2OS/c1-16(7-8-18-2)10-14-12(9-15)11-5-3-4-6-13(11)17-14/h3-6H,7-10,15H2,1-2H3
InChIKeyJHGKJDZXDDNJEQ-UHFFFAOYSA-N
XLogP2.69
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
CID 115987745
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
CID 62438385
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62435698
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431366
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 55074174
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-2-propan-2-yloxyethanamine
CID 81064362
[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
CID 62411658

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine (CID 112665490) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine is CSCCN(C)Cc1oc2ccccc2c1CN.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is JHGKJDZXDDNJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(7-8-18-2)10-14-12(9-15)11-5-3-4-6-13(11)17-14/h3-6H,7-10,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 112665490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).