N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine

C16H20ClNO2 — CID 105045843

IUPACN-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)C1CCC(C)O1
InChIInChI=1S/C16H20ClNO2/c1-3-18-16(14-6-4-10(2)19-14)15-9-11-8-12(17)5-7-13(11)20-15/h5,7-10,14,16,18H,3-4,6H2,1-2H3
InChIKeySGKYHVAILKSKOA-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.30
Rot. Bonds4

About N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine

N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 105045843) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID105045843
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)C1CCC(C)O1
InChIInChI=1S/C16H20ClNO2/c1-3-18-16(14-6-4-10(2)19-14)15-9-11-8-12(17)5-7-13(11)20-15/h5,7-10,14,16,18H,3-4,6H2,1-2H3
InChIKeySGKYHVAILKSKOA-UHFFFAOYSA-N
XLogP4.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
N-[(5-chloro-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 114730026
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115840073
[(2,5-dichlorophenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105302085
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-[(5-chloro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105045870
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine (CID 105045843) is N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1cc2cc(Cl)ccc2o1)C1CCC(C)O1.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is SGKYHVAILKSKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-18-16(14-6-4-10(2)19-14)15-9-11-8-12(17)5-7-13(11)20-15/h5,7-10,14,16,18H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 105045843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).