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

C18H20N2O — CID 115374532

IUPACN-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-3-8-20-18(15-9-13(2)11-19-12-15)17-10-14-6-4-5-7-16(14)21-17/h4-7,9-12,18,20H,3,8H2,1-2H3
InChIKeyUAKAHOWQOROHJB-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.23
Rot. Bonds5

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

N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115374532) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115374532
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-3-8-20-18(15-9-13(2)11-19-12-15)17-10-14-6-4-5-7-16(14)21-17/h4-7,9-12,18,20H,3,8H2,1-2H3
InChIKeyUAKAHOWQOROHJB-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)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[(7-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105187049
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971
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-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115374532) is N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is UAKAHOWQOROHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-8-20-18(15-9-13(2)11-19-12-15)17-10-14-6-4-5-7-16(14)21-17/h4-7,9-12,18,20H,3,8H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]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-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115374532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).