N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C15H23NO2 — CID 106701414

IUPACN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOC(C)(C)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H23NO2/c1-14(2,17-5)10-16-13-11-8-6-7-9-12(11)18-15(13,3)4/h6-9,13,16H,10H2,1-5H3
InChIKeyAPDDQXVJZNBGHL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701414) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701414
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCOC(C)(C)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H23NO2/c1-14(2,17-5)10-16-13-11-8-6-7-9-12(11)18-15(13,3)4/h6-9,13,16H,10H2,1-5H3
InChIKeyAPDDQXVJZNBGHL-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
CID 106290183
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
CID 106701339
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
1-N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 106700808
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-ethoxypropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701430
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701414) is N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is COC(C)(C)CNC1c2ccccc2OC1(C)C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is APDDQXVJZNBGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,17-5)10-16-13-11-8-6-7-9-12(11)18-15(13,3)4/h6-9,13,16H,10H2,1-5H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).