3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine

C17H20N2O — CID 65445324

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1cccnc1
InChIInChI=1S/C17H20N2O/c1-18-16(15-3-2-9-19-12-15)6-4-13-5-7-17-14(11-13)8-10-20-17/h2-3,5,7,9,11-12,16,18H,4,6,8,10H2,1H3
InChIKeyACBGKIGMRVBSAQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 65445324) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
PubChem CID65445324
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1cccnc1
InChIInChI=1S/C17H20N2O/c1-18-16(15-3-2-9-19-12-15)6-4-13-5-7-17-14(11-13)8-10-20-17/h2-3,5,7,9,11-12,16,18H,4,6,8,10H2,1H3
InChIKeyACBGKIGMRVBSAQ-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446272
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 79707540
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65444972
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030944
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
1-(2-bromofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 106857730

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine (CID 65445324) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine is CNC(CCc1ccc2c(c1)CCO2)c1cccnc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is ACBGKIGMRVBSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-16(15-3-2-9-19-12-15)6-4-13-5-7-17-14(11-13)8-10-20-17/h2-3,5,7,9,11-12,16,18H,4,6,8,10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 65445324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).