N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine

C11H14INO — CID 114505487

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
SMILESICCNCC1Cc2ccccc2O1
InChIInChI=1S/C11H14INO/c12-5-6-13-8-10-7-9-3-1-2-4-11(9)14-10/h1-4,10,13H,5-8H2
InChIKeyKABABISCXDAZGT-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.01
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine (PubChem CID 114505487) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
PubChem CID114505487
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
SMILESICCNCC1Cc2ccccc2O1
InChIInChI=1S/C11H14INO/c12-5-6-13-8-10-7-9-3-1-2-4-11(9)14-10/h1-4,10,13H,5-8H2
InChIKeyKABABISCXDAZGT-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
CID 104806388
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
CID 106212017
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine (CID 114505487) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine is ICCNCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine?
The InChIKey is KABABISCXDAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-5-6-13-8-10-7-9-3-1-2-4-11(9)14-10/h1-4,10,13H,5-8H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine has a molecular weight of 303.14 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine is sourced from PubChem (CID 114505487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).