7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine

C11H14ClNO — CID 62670583

IUPAC7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1c2cc(C)cc(Cl)c2OC1C
InChIInChI=1S/C11H14ClNO/c1-6-4-8-10(13-3)7(2)14-11(8)9(12)5-6/h4-5,7,10,13H,1-3H3
InChIKeyRSEFZTDIVKHIQX-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.69
Rot. Bonds1

About 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine

7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 62670583) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID62670583
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1c2cc(C)cc(Cl)c2OC1C
InChIInChI=1S/C11H14ClNO/c1-6-4-8-10(13-3)7(2)14-11(8)9(12)5-6/h4-5,7,10,13H,1-3H3
InChIKeyRSEFZTDIVKHIQX-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine (CID 62670583) is 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine is CNC1c2cc(C)cc(Cl)c2OC1C.
What is the InChIKey of 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RSEFZTDIVKHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-6-4-8-10(13-3)7(2)14-11(8)9(12)5-6/h4-5,7,10,13H,1-3H3.
What are the key properties of 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 62670583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).