[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine

C17H24N2O2 — CID 62434570

IUPAC[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCC1CN(Cc2oc3ccccc3c2CN)CC(C)(C)O1
InChIInChI=1S/C17H24N2O2/c1-12-9-19(11-17(2,3)21-12)10-16-14(8-18)13-6-4-5-7-15(13)20-16/h4-7,12H,8-11,18H2,1-3H3
InChIKeyHJEXAMGXFPFMHZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds3

About [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine

[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62434570) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62434570
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCC1CN(Cc2oc3ccccc3c2CN)CC(C)(C)O1
InChIInChI=1S/C17H24N2O2/c1-12-9-19(11-17(2,3)21-12)10-16-14(8-18)13-6-4-5-7-15(13)20-16/h4-7,12H,8-11,18H2,1-3H3
InChIKeyHJEXAMGXFPFMHZ-UHFFFAOYSA-N
XLogP2.89
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine (CID 62434570) is [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine is CC1CN(Cc2oc3ccccc3c2CN)CC(C)(C)O1.
What is the InChIKey of [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is HJEXAMGXFPFMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-9-19(11-17(2,3)21-12)10-16-14(8-18)13-6-4-5-7-15(13)20-16/h4-7,12H,8-11,18H2,1-3H3.
What are the key properties of [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62434570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).