N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine

C12H17NO — CID 3041914

IUPACN,N,2,2-tetramethyl-3H-1-benzofuran-3-amine
SMILESCN(C)C1c2ccccc2OC1(C)C
InChIInChI=1S/C12H17NO/c1-12(2)11(13(3)4)9-7-5-6-8-10(9)14-12/h5-8,11H,1-4H3
InChIKeyKLJZWXAEYRTQHC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.46
Rot. Bonds1

About N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine

N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine (PubChem CID 3041914) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3H-1-benzofuran-3-amine
PubChem CID3041914
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N,2,2-tetramethyl-3H-1-benzofuran-3-amine
SMILESCN(C)C1c2ccccc2OC1(C)C
InChIInChI=1S/C12H17NO/c1-12(2)11(13(3)4)9-7-5-6-8-10(9)14-12/h5-8,11H,1-4H3
InChIKeyKLJZWXAEYRTQHC-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine (CID 3041914) is N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine is CN(C)C1c2ccccc2OC1(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine?
The InChIKey is KLJZWXAEYRTQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)11(13(3)4)9-7-5-6-8-10(9)14-12/h5-8,11H,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine?
N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 3041914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).