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

C17H18N2O — CID 105184842

IUPAC1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O/c1-18-15(10-9-14-7-4-5-11-19-14)17-12-13-6-2-3-8-16(13)20-17/h2-8,11-12,15,18H,9-10H2,1H3
InChIKeyOMKTYWVXELYCSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.72
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105184842) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105184842
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O/c1-18-15(10-9-14-7-4-5-11-19-14)17-12-13-6-2-3-8-16(13)20-17/h2-8,11-12,15,18H,9-10H2,1H3
InChIKeyOMKTYWVXELYCSF-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
N-methyl-1-(5-methyl-3-pyridinyl)-3-pyridin-2-ylpropan-1-amine
CID 105173940
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
N-methyl-1-(5-methylthiophen-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105155581
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695788

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105184842) is 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is OMKTYWVXELYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-15(10-9-14-7-4-5-11-19-14)17-12-13-6-2-3-8-16(13)20-17/h2-8,11-12,15,18H,9-10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105184842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).