5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine

C16H17N3O — CID 44532129

IUPAC5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc3occ(CCN)c3c2)cnc1N
InChIInChI=1S/C16H17N3O/c1-10-6-13(8-19-16(10)18)11-2-3-15-14(7-11)12(4-5-17)9-20-15/h2-3,6-9H,4-5,17H2,1H3,(H2,18,19)
InChIKeySXTZOVRYOZUSSC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds3

About 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine

5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine (PubChem CID 44532129) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine
PubChem CID44532129
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc3occ(CCN)c3c2)cnc1N
InChIInChI=1S/C16H17N3O/c1-10-6-13(8-19-16(10)18)11-2-3-15-14(7-11)12(4-5-17)9-20-15/h2-3,6-9H,4-5,17H2,1H3,(H2,18,19)
InChIKeySXTZOVRYOZUSSC-UHFFFAOYSA-N
XLogP2.89
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine (CID 44532129) is 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine is Cc1cc(-c2ccc3occ(CCN)c3c2)cnc1N.
What is the InChIKey of 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine?
The InChIKey is SXTZOVRYOZUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-6-13(8-19-16(10)18)11-2-3-15-14(7-11)12(4-5-17)9-20-15/h2-3,6-9H,4-5,17H2,1H3,(H2,18,19).
What are the key properties of 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine?
5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)-1-benzofuran-5-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 44532129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).