(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine

C17H15Cl2NO — CID 63506552

IUPAC(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)12-9-10(18)7-8-13(12)19/h3-9,17H,2,20H2,1H3
InChIKeyHHOINEOTKHNYCT-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.35
Rot. Bonds3

About (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine

(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine (PubChem CID 63506552) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
PubChem CID63506552
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)12-9-10(18)7-8-13(12)19/h3-9,17H,2,20H2,1H3
InChIKeyHHOINEOTKHNYCT-UHFFFAOYSA-N
XLogP5.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine (CID 63506552) is (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine is CCc1oc2ccccc2c1C(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The InChIKey is HHOINEOTKHNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)12-9-10(18)7-8-13(12)19/h3-9,17H,2,20H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine has a molecular weight of 320.22 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 63506552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).