N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine

C18H20N2O — CID 105185489

IUPACN-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCNC(CCc1ccncc1)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H20N2O/c1-13-4-3-5-15-12-17(21-18(13)15)16(19-2)7-6-14-8-10-20-11-9-14/h3-5,8-12,16,19H,6-7H2,1-2H3
InChIKeyVXWAUUXORXEDIT-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds5

About N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105185489) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105185489
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCNC(CCc1ccncc1)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H20N2O/c1-13-4-3-5-15-12-17(21-18(13)15)16(19-2)7-6-14-8-10-20-11-9-14/h3-5,8-12,16,19H,6-7H2,1-2H3
InChIKeyVXWAUUXORXEDIT-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105235506
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine (CID 105185489) is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine is CNC(CCc1ccncc1)c1cc2cccc(C)c2o1.
What is the InChIKey of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is VXWAUUXORXEDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-4-3-5-15-12-17(21-18(13)15)16(19-2)7-6-14-8-10-20-11-9-14/h3-5,8-12,16,19H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105185489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).