N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

C17H20N2O2 — CID 115981803

IUPACN-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCc3ncccc3C)ccc21
InChIInChI=1S/C17H20N2O2/c1-3-18-16-11-21-17-9-13(6-7-14(16)17)20-10-15-12(2)5-4-8-19-15/h4-9,16,18H,3,10-11H2,1-2H3
InChIKeyPRBIIZSBGXXNHL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115981803) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115981803
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCc3ncccc3C)ccc21
InChIInChI=1S/C17H20N2O2/c1-3-18-16-11-21-17-9-13(6-7-14(16)17)20-10-15-12(2)5-4-8-19-15/h4-9,16,18H,3,10-11H2,1-2H3
InChIKeyPRBIIZSBGXXNHL-UHFFFAOYSA-N
XLogP3.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 115981803) is N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OCc3ncccc3C)ccc21.
What is the InChIKey of N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is PRBIIZSBGXXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-18-16-11-21-17-9-13(6-7-14(16)17)20-10-15-12(2)5-4-8-19-15/h4-9,16,18H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 284.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115981803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).