2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine

C15H23NO2 — CID 55200581

IUPAC2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC1CCOC1
InChIInChI=1S/C15H23NO2/c1-10-6-12-13(16-11-4-5-17-9-11)7-15(2,3)8-14(12)18-10/h6,11,13,16H,4-5,7-9H2,1-3H3
InChIKeyARLZCDARIOYUDV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds2

About 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine

2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 55200581) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID55200581
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC1CCOC1
InChIInChI=1S/C15H23NO2/c1-10-6-12-13(16-11-4-5-17-9-11)7-15(2,3)8-14(12)18-10/h6,11,13,16H,4-5,7-9H2,1-3H3
InChIKeyARLZCDARIOYUDV-UHFFFAOYSA-N
XLogP2.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 62977089
N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 43788980
2,6,6-trimethyl-N-[(5-methyloxolan-2-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine
CID 82835230
(E)-3-cyclopropyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]but-2-enamide
CID 97456167
(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide
CID 94397689
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654
(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide
CID 104913159
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 52507892
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 115380077

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine (CID 55200581) is 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2NC1CCOC1.
What is the InChIKey of 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is ARLZCDARIOYUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-6-12-13(16-11-4-5-17-9-11)7-15(2,3)8-14(12)18-10/h6,11,13,16H,4-5,7-9H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine?
2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-(oxolan-3-yl)-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 55200581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).