5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C13H18ClNO — CID 83050116

IUPAC5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(C)c(Cl)c(C)c2C1N
InChIInChI=1S/C13H18ClNO/c1-4-5-9-13(15)11-8(3)12(14)7(2)6-10(11)16-9/h6,9,13H,4-5,15H2,1-3H3
InChIKeyRSMCTQLUPCQVOS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.52
Rot. Bonds2

About 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83050116) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83050116
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(C)c(Cl)c(C)c2C1N
InChIInChI=1S/C13H18ClNO/c1-4-5-9-13(15)11-8(3)12(14)7(2)6-10(11)16-9/h6,9,13H,4-5,15H2,1-3H3
InChIKeyRSMCTQLUPCQVOS-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83050116) is 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2cc(C)c(Cl)c(C)c2C1N.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RSMCTQLUPCQVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-5-9-13(15)11-8(3)12(14)7(2)6-10(11)16-9/h6,9,13H,4-5,15H2,1-3H3.
What are the key properties of 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 239.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83050116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).