N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine

C15H21NO2 — CID 62443711

IUPACN-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCOCc1c(CNC(C)C)oc2ccccc12
InChIInChI=1S/C15H21NO2/c1-4-17-10-13-12-7-5-6-8-14(12)18-15(13)9-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyKXKOSUHCKXHCNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.47
Rot. Bonds6

About N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine

N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 62443711) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID62443711
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCOCc1c(CNC(C)C)oc2ccccc12
InChIInChI=1S/C15H21NO2/c1-4-17-10-13-12-7-5-6-8-14(12)18-15(13)9-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyKXKOSUHCKXHCNE-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 102986880
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62458588
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62421228
N-[[3-[(4-bromopyrazol-1-yl)methyl]-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62441337

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 62443711) is N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is CCOCc1c(CNC(C)C)oc2ccccc12.
What is the InChIKey of N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is KXKOSUHCKXHCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-17-10-13-12-7-5-6-8-14(12)18-15(13)9-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).