N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine

C17H23NO2 — CID 105045609

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(C)c2o1)C1CCOC1C
InChIInChI=1S/C17H23NO2/c1-4-18-16(14-8-9-19-12(14)3)15-10-13-7-5-6-11(2)17(13)20-15/h5-7,10,12,14,16,18H,4,8-9H2,1-3H3
InChIKeyZKJKDFYNBATVFJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.82
Rot. Bonds4

About N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine

N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105045609) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105045609
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(C)c2o1)C1CCOC1C
InChIInChI=1S/C17H23NO2/c1-4-18-16(14-8-9-19-12(14)3)15-10-13-7-5-6-11(2)17(13)20-15/h5-7,10,12,14,16,18H,4,8-9H2,1-3H3
InChIKeyZKJKDFYNBATVFJ-UHFFFAOYSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-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-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine (CID 105045609) is N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cc2cccc(C)c2o1)C1CCOC1C.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is ZKJKDFYNBATVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-18-16(14-8-9-19-12(14)3)15-10-13-7-5-6-11(2)17(13)20-15/h5-7,10,12,14,16,18H,4,8-9H2,1-3H3.
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105045609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).