2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol

C15H22N2O3 — CID 129284216

IUPAC2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol
SMILESCC1(CCO)Cc2cc(N)c(N3CCOCC3)cc2O1
InChIInChI=1S/C15H22N2O3/c1-15(2-5-18)10-11-8-12(16)13(9-14(11)20-15)17-3-6-19-7-4-17/h8-9,18H,2-7,10,16H2,1H3
InChIKeyQPGCESUJHZPSIC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds3

About 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol

2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol (PubChem CID 129284216) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol
PubChem CID129284216
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol
SMILESCC1(CCO)Cc2cc(N)c(N3CCOCC3)cc2O1
InChIInChI=1S/C15H22N2O3/c1-15(2-5-18)10-11-8-12(16)13(9-14(11)20-15)17-3-6-19-7-4-17/h8-9,18H,2-7,10,16H2,1H3
InChIKeyQPGCESUJHZPSIC-UHFFFAOYSA-N
XLogP1.18
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-6-morpholin-4-yl-5-nitroso-3H-1-benzofuran-2-yl)ethanol
CID 129298671
2-(methoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284277
2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284594
[5-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3H-1-benzofuran-2-yl]methanol
CID 129298445
2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine
CID 129298388
[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol
CID 129284480
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
4-amino-5-[amino(methyl)amino]-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyridine-3-carboxamide
CID 167038748
[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium
CID 163510447
6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284298
6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129283933
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol (CID 129284216) is 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol is CC1(CCO)Cc2cc(N)c(N3CCOCC3)cc2O1.
What is the InChIKey of 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol?
The InChIKey is QPGCESUJHZPSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2-5-18)10-11-8-12(16)13(9-14(11)20-15)17-3-6-19-7-4-17/h8-9,18H,2-7,10,16H2,1H3.
What are the key properties of 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol?
2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol has a molecular weight of 278.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 129284216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).