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

C16H18N2O2 — CID 115981802

IUPACN-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCc3ncccc3C)ccc21
InChIInChI=1S/C16H18N2O2/c1-11-4-3-7-18-14(11)9-19-12-5-6-13-15(17-2)10-20-16(13)8-12/h3-8,15,17H,9-10H2,1-2H3
InChIKeyVLPNZYJODKVJBY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.62
Rot. Bonds4

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

N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115981802) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115981802
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCc3ncccc3C)ccc21
InChIInChI=1S/C16H18N2O2/c1-11-4-3-7-18-14(11)9-19-12-5-6-13-15(17-2)10-20-16(13)8-12/h3-8,15,17H,9-10H2,1-2H3
InChIKeyVLPNZYJODKVJBY-UHFFFAOYSA-N
XLogP2.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 115981802) is N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(OCc3ncccc3C)ccc21.
What is the InChIKey of N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VLPNZYJODKVJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-3-7-18-14(11)9-19-12-5-6-13-15(17-2)10-20-16(13)8-12/h3-8,15,17H,9-10H2,1-2H3.
What are the key properties of N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 270.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115981802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).