[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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Related Compounds

[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 102886834
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
2,5-dimethyl-4-[(2-methylphenyl)methyl]morpholine
CID 75808664
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 63160099
[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62434570
N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62438923
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865447
2-(2,5-dimethylmorpholin-4-yl)-1-phenylethanamine
CID 43544546
3-[(2,5-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62471712
4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
CID 55159075
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine
CID 64578877

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).