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

C15H21NO2 — CID 55073016

IUPACN-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1c(CNCC(C)C)oc2ccccc12
InChIInChI=1S/C15H21NO2/c1-11(2)8-16-9-15-13(10-17-3)12-6-4-5-7-14(12)18-15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyYFYFORZYBLBBCL-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.32
Rot. Bonds6

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

N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55073016) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID55073016
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1c(CNCC(C)C)oc2ccccc12
InChIInChI=1S/C15H21NO2/c1-11(2)8-16-9-15-13(10-17-3)12-6-4-5-7-14(12)18-15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyYFYFORZYBLBBCL-UHFFFAOYSA-N
XLogP3.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-[[5-bromo-6-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377589
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376782
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
CID 114376622
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62448133
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43434685
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine (CID 55073016) is N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine is COCc1c(CNCC(C)C)oc2ccccc12.
What is the InChIKey of N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YFYFORZYBLBBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)8-16-9-15-13(10-17-3)12-6-4-5-7-14(12)18-15/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55073016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).