[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine

C16H22N2O2 — CID 62432254

IUPAC[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCC1CN(Cc2c(CN)oc3ccccc23)C(C)CO1
InChIInChI=1S/C16H22N2O2/c1-11-10-19-12(2)8-18(11)9-14-13-5-3-4-6-15(13)20-16(14)7-17/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyFPMGFBYBNQVSFI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds3

About [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine

[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 62432254) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID62432254
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCC1CN(Cc2c(CN)oc3ccccc23)C(C)CO1
InChIInChI=1S/C16H22N2O2/c1-11-10-19-12(2)8-18(11)9-14-13-5-3-4-6-15(13)20-16(14)7-17/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyFPMGFBYBNQVSFI-UHFFFAOYSA-N
XLogP2.50
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine (CID 62432254) is [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine is CC1CN(Cc2c(CN)oc3ccccc23)C(C)CO1.
What is the InChIKey of [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is FPMGFBYBNQVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-10-19-12(2)8-18(11)9-14-13-5-3-4-6-15(13)20-16(14)7-17/h3-6,11-12H,7-10,17H2,1-2H3.
What are the key properties of [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine?
[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 274.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62432254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).