N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine

C18H20N2O — CID 114727737

IUPACN-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H20N2O/c1-3-8-20-18(14-5-4-9-19-12-14)17-11-15-10-13(2)6-7-16(15)21-17/h4-7,9-12,18,20H,3,8H2,1-2H3
InChIKeyHWPVYSPIHBYGLK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.23
Rot. Bonds5

About N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine

N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 114727737) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID114727737
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H20N2O/c1-3-8-20-18(14-5-4-9-19-12-14)17-11-15-10-13(2)6-7-16(15)21-17/h4-7,9-12,18,20H,3,8H2,1-2H3
InChIKeyHWPVYSPIHBYGLK-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid
CID 167164269
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine (CID 114727737) is N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is HWPVYSPIHBYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-8-20-18(14-5-4-9-19-12-14)17-11-15-10-13(2)6-7-16(15)21-17/h4-7,9-12,18,20H,3,8H2,1-2H3.
What are the key properties of N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 114727737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).