N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine

C17H27NO2 — CID 12709387

IUPACN-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
SMILESCC(C)(C)N(OCC1COc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-16(2,3)18(17(4,5)6)20-12-13-11-19-15-10-8-7-9-14(13)15/h7-10,13H,11-12H2,1-6H3
InChIKeyKNWICDFLBVKTML-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.99
Rot. Bonds3

About N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine

N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine (PubChem CID 12709387) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
PubChem CID12709387
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
SMILESCC(C)(C)N(OCC1COc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-16(2,3)18(17(4,5)6)20-12-13-11-19-15-10-8-7-9-14(13)15/h7-10,13H,11-12H2,1-6H3
InChIKeyKNWICDFLBVKTML-UHFFFAOYSA-N
XLogP3.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2,3-dihydro-1-benzofuran
CID 576907
1-[4-(2-Sec-butylphenoxy)butyl]pyrrolidine
CID 2924139
2-(2,3-Dihydro-1-benzofuran-3-yl)acetonitrile
CID 11715216
1-(2,3-Dihydro-1-benzofuran-3-yl)ethanol
CID 10953866
2,3-Dihydro-3-(1-methylethyl)benzofuran
CID 10964832
(2,3-Dihydrobenzofuran-3-yl)methanol
CID 11051837
3-Ethyl-2,3-dihydrobenzofuran
CID 11094780
2-Ethyl-3-methyl-2,3-dihydrobenzofuran
CID 12705306
(s)-3-Methyl-2,3-dihydrobenzo[d]furan
CID 15939192
2-(2-Methylpropyl)-2,3-dihydro-1-benzofuran
CID 53897263
Cambridge id 5192457
CID 2832857
1-[3-(2-Sec-butylphenoxy)propyl]pyrrolidine
CID 2924335

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine?
The IUPAC name of N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine (CID 12709387) is N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine.
What is the SMILES notation for N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine?
The canonical SMILES for N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine is CC(C)(C)N(OCC1COc2ccccc21)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine?
The InChIKey is KNWICDFLBVKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)18(17(4,5)6)20-12-13-11-19-15-10-8-7-9-14(13)15/h7-10,13H,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine?
N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 12709387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).