6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H14ClNO — CID 79982964

IUPAC6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2ccc(Cl)cc2OC1C
InChIInChI=1S/C11H14ClNO/c1-3-13-11-7(2)14-10-6-8(12)4-5-9(10)11/h4-7,11,13H,3H2,1-2H3
InChIKeyMMQBHRSMIBMYAD-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.77
Rot. Bonds2

About 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine

6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79982964) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79982964
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2ccc(Cl)cc2OC1C
InChIInChI=1S/C11H14ClNO/c1-3-13-11-7(2)14-10-6-8(12)4-5-9(10)11/h4-7,11,13H,3H2,1-2H3
InChIKeyMMQBHRSMIBMYAD-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 79982964) is 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2ccc(Cl)cc2OC1C.
What is the InChIKey of 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MMQBHRSMIBMYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-13-11-7(2)14-10-6-8(12)4-5-9(10)11/h4-7,11,13H,3H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79982964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).