N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine

C17H24N2O2 — CID 62438923

IUPACN-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccccc2c1CN1CCOC(C)C1
InChIInChI=1S/C17H24N2O2/c1-3-18-10-17-15(12-19-8-9-20-13(2)11-19)14-6-4-5-7-16(14)21-17/h4-7,13,18H,3,8-12H2,1-2H3
InChIKeyWHJQBIRFYCSQKN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.76
Rot. Bonds5

About N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine

N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 62438923) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID62438923
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccccc2c1CN1CCOC(C)C1
InChIInChI=1S/C17H24N2O2/c1-3-18-10-17-15(12-19-8-9-20-13(2)11-19)14-6-4-5-7-16(14)21-17/h4-7,13,18H,3,8-12H2,1-2H3
InChIKeyWHJQBIRFYCSQKN-UHFFFAOYSA-N
XLogP2.76
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 106316740
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine
CID 63218189
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
1-[(2-ethyl-1-benzofuran-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040712
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154906463

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine (CID 62438923) is N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2ccccc2c1CN1CCOC(C)C1.
What is the InChIKey of N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is WHJQBIRFYCSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18-10-17-15(12-19-8-9-20-13(2)11-19)14-6-4-5-7-16(14)21-17/h4-7,13,18H,3,8-12H2,1-2H3.
What are the key properties of N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62438923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).