2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine

C16H22N2O2 — CID 129284594

IUPAC2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
SMILESCC1(C2CC2)Cc2cc(N)c(N3CCOCC3)cc2O1
InChIInChI=1S/C16H22N2O2/c1-16(12-2-3-12)10-11-8-13(17)14(9-15(11)20-16)18-4-6-19-7-5-18/h8-9,12H,2-7,10,17H2,1H3
InChIKeyVGMDIKGSQKLVJS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.21
Rot. Bonds2

About 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine

2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine (PubChem CID 129284594) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
PubChem CID129284594
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
SMILESCC1(C2CC2)Cc2cc(N)c(N3CCOCC3)cc2O1
InChIInChI=1S/C16H22N2O2/c1-16(12-2-3-12)10-11-8-13(17)14(9-15(11)20-16)18-4-6-19-7-5-18/h8-9,12H,2-7,10,17H2,1H3
InChIKeyVGMDIKGSQKLVJS-UHFFFAOYSA-N
XLogP2.21
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine
CID 129298388
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol
CID 129284480
5-methyl-2-morpholin-4-ylaniline
CID 18952141
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
2-(2-methyl-6-morpholin-4-yl-5-nitroso-3H-1-benzofuran-2-yl)ethanol
CID 129298671
[5-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3H-1-benzofuran-2-yl]methanol
CID 129298445
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium
CID 163510447
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine (CID 129284594) is 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine is CC1(C2CC2)Cc2cc(N)c(N3CCOCC3)cc2O1.
What is the InChIKey of 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
The InChIKey is VGMDIKGSQKLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(12-2-3-12)10-11-8-13(17)14(9-15(11)20-16)18-4-6-19-7-5-18/h8-9,12H,2-7,10,17H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine?
2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine has a molecular weight of 274.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 129284594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).