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

C17H26N2O2 — CID 62458588

IUPACN-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(COCCN(C)C)oc2ccccc12
InChIInChI=1S/C17H26N2O2/c1-13(2)18-11-15-14-7-5-6-8-16(14)21-17(15)12-20-10-9-19(3)4/h5-8,13,18H,9-12H2,1-4H3
InChIKeyQFBFZIUGWWLMGH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.01
Rot. Bonds8

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

N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine (PubChem CID 62458588) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
PubChem CID62458588
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(COCCN(C)C)oc2ccccc12
InChIInChI=1S/C17H26N2O2/c1-13(2)18-11-15-14-7-5-6-8-16(14)21-17(15)12-20-10-9-19(3)4/h5-8,13,18H,9-12H2,1-4H3
InChIKeyQFBFZIUGWWLMGH-UHFFFAOYSA-N
XLogP3.01
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62421228
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459122
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 102986880
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine (CID 62458588) is N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine is CC(C)NCc1c(COCCN(C)C)oc2ccccc12.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The InChIKey is QFBFZIUGWWLMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)18-11-15-14-7-5-6-8-16(14)21-17(15)12-20-10-9-19(3)4/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62458588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).