N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine

C15H22N2O2 — CID 55074174

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1oc2ccccc2c1CN
InChIInChI=1S/C15H22N2O2/c1-11(10-18-3)17(2)9-15-13(8-16)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10,16H2,1-3H3
InChIKeyCYLYETXIFZUJIK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.36
Rot. Bonds6

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 55074174) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID55074174
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1oc2ccccc2c1CN
InChIInChI=1S/C15H22N2O2/c1-11(10-18-3)17(2)9-15-13(8-16)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10,16H2,1-3H3
InChIKeyCYLYETXIFZUJIK-UHFFFAOYSA-N
XLogP2.36
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
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-2-methylsulfanylethanamine
CID 112665490
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 107556230
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431366
2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62424272
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 62435058

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine (CID 55074174) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1oc2ccccc2c1CN.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is CYLYETXIFZUJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(10-18-3)17(2)9-15-13(8-16)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 262.35 g/mol, XLogP of 2.36, 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]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 55074174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).