N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine

C17H23NO2 — CID 62955578

IUPACN-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1c(CC)oc2ccccc12)C1CCCO1
InChIInChI=1S/C17H23NO2/c1-3-13-16(12-8-5-6-9-14(12)20-13)17(18-4-2)15-10-7-11-19-15/h5-6,8-9,15,17-18H,3-4,7,10-11H2,1-2H3
InChIKeyNITLALIEBNEODG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine

N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine (PubChem CID 62955578) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine
PubChem CID62955578
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1c(CC)oc2ccccc12)C1CCCO1
InChIInChI=1S/C17H23NO2/c1-3-13-16(12-8-5-6-9-14(12)20-13)17(18-4-2)15-10-7-11-19-15/h5-6,8-9,15,17-18H,3-4,7,10-11H2,1-2H3
InChIKeyNITLALIEBNEODG-UHFFFAOYSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1,4-dioxan-2-yl-(2-ethyl-1-benzofuran-3-yl)methyl]ethanamine
CID 62957513
1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156552
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79645567
N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 55195132
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[(3-bromo-2,6-difluorophenyl)-(oxan-2-yl)methyl]ethanamine
CID 106944673
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine (CID 62955578) is N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine is CCNC(c1c(CC)oc2ccccc12)C1CCCO1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine?
The InChIKey is NITLALIEBNEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-13-16(12-8-5-6-9-14(12)20-13)17(18-4-2)15-10-7-11-19-15/h5-6,8-9,15,17-18H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine?
N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 62955578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).