N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine

C15H22N2O2 — CID 167038773

IUPACN,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
SMILESCNc1cc2c(cc1N1CCOCC1)OC(C)(C)C2
InChIInChI=1S/C15H22N2O2/c1-15(2)10-11-8-12(16-3)13(9-14(11)19-15)17-4-6-18-7-5-17/h8-9,16H,4-7,10H2,1-3H3
InChIKeyACMSSSNWFWWXFB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.28
Rot. Bonds2

About N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine

N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine (PubChem CID 167038773) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
PubChem CID167038773
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
SMILESCNc1cc2c(cc1N1CCOCC1)OC(C)(C)C2
InChIInChI=1S/C15H22N2O2/c1-15(2)10-11-8-12(16-3)13(9-14(11)19-15)17-4-6-18-7-5-17/h8-9,16H,4-7,10H2,1-3H3
InChIKeyACMSSSNWFWWXFB-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide
CID 142501178
2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine
CID 129298388
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide
CID 167038984
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 142501256
(E)-3-amino-2-(5-cyanopyrimidin-2-yl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)prop-2-enamide
CID 129297594
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]formamide
CID 129298372
6-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284274
2-(methoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284277
2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol
CID 129284216
2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284594
[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol
CID 129284480
2-(2-methyl-6-morpholin-4-yl-5-nitroso-3H-1-benzofuran-2-yl)ethanol
CID 129298671

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
The IUPAC name of N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine (CID 167038773) is N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
The canonical SMILES for N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine is CNc1cc2c(cc1N1CCOCC1)OC(C)(C)C2.
What is the InChIKey of N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
The InChIKey is ACMSSSNWFWWXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)10-11-8-12(16-3)13(9-14(11)19-15)17-4-6-18-7-5-17/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine has a molecular weight of 262.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 167038773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).