(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine

C15H14INO — CID 114279709

IUPAC(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cc(I)cc2c1OCC2
InChIInChI=1S/C15H14INO/c16-12-8-11-6-7-18-15(11)13(9-12)14(17)10-4-2-1-3-5-10/h1-5,8-9,14H,6-7,17H2
InChIKeyOPOKRYHMVRXOFI-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.27
Rot. Bonds2

About (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine

(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine (PubChem CID 114279709) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine
PubChem CID114279709
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cc(I)cc2c1OCC2
InChIInChI=1S/C15H14INO/c16-12-8-11-6-7-18-15(11)13(9-12)14(17)10-4-2-1-3-5-10/h1-5,8-9,14H,6-7,17H2
InChIKeyOPOKRYHMVRXOFI-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[chloro-(4-methylphenyl)methyl]-5-iodo-2,3-dihydro-1-benzofuran
CID 114279867
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-iodothiophen-3-yl)methanamine
CID 104541568
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfanylphenyl)methanamine
CID 104545238
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
CID 104545363
7-(1-chloro-2-propylpentyl)-5-iodo-2,3-dihydro-1-benzofuran
CID 114279864
(3-bromothiophen-2-yl)-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114279846
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 104545223
7-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran
CID 114279880
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine?
The IUPAC name of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine (CID 114279709) is (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine.
What is the SMILES notation for (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine?
The canonical SMILES for (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine is NC(c1ccccc1)c1cc(I)cc2c1OCC2.
What is the InChIKey of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine?
The InChIKey is OPOKRYHMVRXOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c16-12-8-11-6-7-18-15(11)13(9-12)14(17)10-4-2-1-3-5-10/h1-5,8-9,14H,6-7,17H2.
What are the key properties of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine?
(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine has a molecular weight of 351.19 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-phenylmethanamine is sourced from PubChem (CID 114279709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).