N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine

C17H18N2O — CID 114727718

IUPACN-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O/c1-2-10-19-17(14-8-5-6-11-18-14)16-12-13-7-3-4-9-15(13)20-16/h3-9,11-12,17,19H,2,10H2,1H3
InChIKeyLCOCFOXBVDJELD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.92
Rot. Bonds5

About N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine

N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine (PubChem CID 114727718) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
PubChem CID114727718
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O/c1-2-10-19-17(14-8-5-6-11-18-14)16-12-13-7-3-4-9-15(13)20-16/h3-9,11-12,17,19H,2,10H2,1H3
InChIKeyLCOCFOXBVDJELD-UHFFFAOYSA-N
XLogP3.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine
CID 114727710
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 105043923
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine (CID 114727718) is N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine is CCCNC(c1ccccn1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine?
The InChIKey is LCOCFOXBVDJELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-10-19-17(14-8-5-6-11-18-14)16-12-13-7-3-4-9-15(13)20-16/h3-9,11-12,17,19H,2,10H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114727718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).