(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine

C17H16INO — CID 63504591

IUPAC(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1ccc(I)cc1
InChIInChI=1S/C17H16INO/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,17H,2,19H2,1H3
InChIKeyBHWMMEQQNHNCIR-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.65
Rot. Bonds3

About (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine

(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine (PubChem CID 63504591) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine
PubChem CID63504591
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC Name(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1ccc(I)cc1
InChIInChI=1S/C17H16INO/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,17H,2,19H2,1H3
InChIKeyBHWMMEQQNHNCIR-UHFFFAOYSA-N
XLogP4.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine?
The IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine (CID 63504591) is (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine.
What is the SMILES notation for (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine?
The canonical SMILES for (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine is CCc1oc2ccccc2c1C(N)c1ccc(I)cc1.
What is the InChIKey of (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine?
The InChIKey is BHWMMEQQNHNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,17H,2,19H2,1H3.
What are the key properties of (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine?
(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine has a molecular weight of 377.23 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine is sourced from PubChem (CID 63504591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).