N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine

C16H20ClNO2 — CID 105045848

IUPACN-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)C1OCCC1C
InChIInChI=1S/C16H20ClNO2/c1-3-18-15(16-10(2)6-7-19-16)14-9-11-8-12(17)4-5-13(11)20-14/h4-5,8-10,15-16,18H,3,6-7H2,1-2H3
InChIKeyHMBORCKEOUSSSW-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.16
Rot. Bonds4

About N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine

N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 105045848) 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)-(3-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
PubChem CID105045848
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)ccc2o1)C1OCCC1C
InChIInChI=1S/C16H20ClNO2/c1-3-18-15(16-10(2)6-7-19-16)14-9-11-8-12(17)4-5-13(11)20-14/h4-5,8-10,15-16,18H,3,6-7H2,1-2H3
InChIKeyHMBORCKEOUSSSW-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 105045843
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105006959
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 115482290
N-[(5-chloro-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 114730026
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105045861
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine (CID 105045848) is N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1cc2cc(Cl)ccc2o1)C1OCCC1C.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is HMBORCKEOUSSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-18-15(16-10(2)6-7-19-16)14-9-11-8-12(17)4-5-13(11)20-14/h4-5,8-10,15-16,18H,3,6-7H2,1-2H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine?
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.16, 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)-(3-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 105045848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).