N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine

C14H21NO — CID 3041915

IUPACN,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCCN(CC)C1c2ccccc2OC1(C)C
InChIInChI=1S/C14H21NO/c1-5-15(6-2)13-11-9-7-8-10-12(11)16-14(13,3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyQDYUJBUGHVBRJW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.24
Rot. Bonds3

About N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine

N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 3041915) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID3041915
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCCN(CC)C1c2ccccc2OC1(C)C
InChIInChI=1S/C14H21NO/c1-5-15(6-2)13-11-9-7-8-10-12(11)16-14(13,3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyQDYUJBUGHVBRJW-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 3041915) is N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine is CCN(CC)C1c2ccccc2OC1(C)C.
What is the InChIKey of N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is QDYUJBUGHVBRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15(6-2)13-11-9-7-8-10-12(11)16-14(13,3)4/h7-10,13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine?
N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 3041915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).