2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine

C13H17NO2 — CID 106701264

IUPAC2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NC1COC1
InChIInChI=1S/C13H17NO2/c1-13(2)12(14-9-7-15-8-9)10-5-3-4-6-11(10)16-13/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyHJMJNUNSHXZTTM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds2

About 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine

2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine (PubChem CID 106701264) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
PubChem CID106701264
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NC1COC1
InChIInChI=1S/C13H17NO2/c1-13(2)12(14-9-7-15-8-9)10-5-3-4-6-11(10)16-13/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyHJMJNUNSHXZTTM-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701175
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
CID 82815198
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701101
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine (CID 106701264) is 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NC1COC1.
What is the InChIKey of 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine?
The InChIKey is HJMJNUNSHXZTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)12(14-9-7-15-8-9)10-5-3-4-6-11(10)16-13/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine has a molecular weight of 219.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).