N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine

C16H15ClN2O — CID 114727710

IUPACN-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccccn1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H15ClN2O/c1-2-18-16(13-5-3-4-8-19-13)15-10-11-9-12(17)6-7-14(11)20-15/h3-10,16,18H,2H2,1H3
InChIKeyVICBTIDSIQWSDQ-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.18
Rot. Bonds4

About N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine

N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine (PubChem CID 114727710) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine
PubChem CID114727710
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccccn1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H15ClN2O/c1-2-18-16(13-5-3-4-8-19-13)15-10-11-9-12(17)6-7-14(11)20-15/h3-10,16,18H,2H2,1H3
InChIKeyVICBTIDSIQWSDQ-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[(5-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105185621
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105045861
[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743
N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 114730985
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[(5-chloro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105045870
[(5-chloro-1-benzofuran-2-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209118
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
CID 114730268
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)-pyridin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine (CID 114727710) is N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine is CCNC(c1ccccn1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine?
The InChIKey is VICBTIDSIQWSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-18-16(13-5-3-4-8-19-13)15-10-11-9-12(17)6-7-14(11)20-15/h3-10,16,18H,2H2,1H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine?
N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine has a molecular weight of 286.76 g/mol, XLogP of 4.18, 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)-pyridin-2-ylmethyl]ethanamine is sourced from PubChem (CID 114727710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).