5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine

C12H16ClNO — CID 64663227

IUPAC5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(Cl)ccc2OC1CC
InChIInChI=1S/C12H16ClNO/c1-3-10-12(14-4-2)9-7-8(13)5-6-11(9)15-10/h5-7,10,12,14H,3-4H2,1-2H3
InChIKeyMUCGDBTXROLIFV-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.16
Rot. Bonds3

About 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64663227) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64663227
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(Cl)ccc2OC1CC
InChIInChI=1S/C12H16ClNO/c1-3-10-12(14-4-2)9-7-8(13)5-6-11(9)15-10/h5-7,10,12,14H,3-4H2,1-2H3
InChIKeyMUCGDBTXROLIFV-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine (CID 64663227) is 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2cc(Cl)ccc2OC1CC.
What is the InChIKey of 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MUCGDBTXROLIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-10-12(14-4-2)9-7-8(13)5-6-11(9)15-10/h5-7,10,12,14H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 225.72 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64663227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).