3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine

C17H20N2O — CID 105152090

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
SMILESCc1ncccc1C(N)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-12-15(3-2-9-19-12)16(18)6-4-13-5-7-17-14(11-13)8-10-20-17/h2-3,5,7,9,11,16H,4,6,8,10,18H2,1H3
InChIKeyONFROVOSDMBQKT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.96
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine (PubChem CID 105152090) 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)-1-(2-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
PubChem CID105152090
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
SMILESCc1ncccc1C(N)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-12-15(3-2-9-19-12)16(18)6-4-13-5-7-17-14(11-13)8-10-20-17/h2-3,5,7,9,11,16H,4,6,8,10,18H2,1H3
InChIKeyONFROVOSDMBQKT-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 102803817
1-(2-bromo-3-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864593
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methyl-2-pyridinyl)propyl]hydrazine
CID 105209146
1-(2,5-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864532
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102950820
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864584
1-(2-bromo-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864580
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105267998
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine (CID 105152090) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine is Cc1ncccc1C(N)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is ONFROVOSDMBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-15(3-2-9-19-12)16(18)6-4-13-5-7-17-14(11-13)8-10-20-17/h2-3,5,7,9,11,16H,4,6,8,10,18H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.96, 4 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)-1-(2-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 105152090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).