3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine

C16H18N2O — CID 66391563

IUPAC3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc2c(c1)CC(CCc1cccnc1N)O2
InChIInChI=1S/C16H18N2O/c1-11-4-7-15-13(9-11)10-14(19-15)6-5-12-3-2-8-18-16(12)17/h2-4,7-9,14H,5-6,10H2,1H3,(H2,17,18)
InChIKeySPQHFKHZDDHJGZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.91
Rot. Bonds3

About 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine

3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine (PubChem CID 66391563) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine
PubChem CID66391563
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccc2c(c1)CC(CCc1cccnc1N)O2
InChIInChI=1S/C16H18N2O/c1-11-4-7-15-13(9-11)10-14(19-15)6-5-12-3-2-8-18-16(12)17/h2-4,7-9,14H,5-6,10H2,1H3,(H2,17,18)
InChIKeySPQHFKHZDDHJGZ-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine (CID 66391563) is 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine is Cc1ccc2c(c1)CC(CCc1cccnc1N)O2.
What is the InChIKey of 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
The InChIKey is SPQHFKHZDDHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-4-7-15-13(9-11)10-14(19-15)6-5-12-3-2-8-18-16(12)17/h2-4,7-9,14H,5-6,10H2,1H3,(H2,17,18).
What are the key properties of 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 66391563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).