N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline

C21H24N2O2 — CID 102425526

IUPACN-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline
SMILESCN(CCc1oc2ccccc2c1N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-22(17-7-3-2-4-8-17)12-11-20-21(23-13-15-24-16-14-23)18-9-5-6-10-19(18)25-20/h2-10H,11-16H2,1H3
InChIKeyGFOXKRKOAHEASX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.95
Rot. Bonds5

About N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline

N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline (PubChem CID 102425526) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline
PubChem CID102425526
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline
SMILESCN(CCc1oc2ccccc2c1N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-22(17-7-3-2-4-8-17)12-11-20-21(23-13-15-24-16-14-23)18-9-5-6-10-19(18)25-20/h2-10H,11-16H2,1H3
InChIKeyGFOXKRKOAHEASX-UHFFFAOYSA-N
XLogP3.95
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline?
The IUPAC name of N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline (CID 102425526) is N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline.
What is the SMILES notation for N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline?
The canonical SMILES for N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline is CN(CCc1oc2ccccc2c1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline?
The InChIKey is GFOXKRKOAHEASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22(17-7-3-2-4-8-17)12-11-20-21(23-13-15-24-16-14-23)18-9-5-6-10-19(18)25-20/h2-10H,11-16H2,1H3.
What are the key properties of N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline?
N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline has a molecular weight of 336.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-morpholin-4-yl-1-benzofuran-2-yl)ethyl]aniline is sourced from PubChem (CID 102425526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).