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

C15H14INO — CID 79226500

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
SMILESIc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C15H14INO/c16-13-6-2-3-7-14(13)17-9-11-10-18-15-8-4-1-5-12(11)15/h1-8,11,17H,9-10H2
InChIKeyXGVKKMHIDCMGNO-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.88
Rot. Bonds3

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

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline (PubChem CID 79226500) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
PubChem CID79226500
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
SMILESIc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C15H14INO/c16-13-6-2-3-7-14(13)17-9-11-10-18-15-8-4-1-5-12(11)15/h1-8,11,17H,9-10H2
InChIKeyXGVKKMHIDCMGNO-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.88
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

2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
CID 79226177
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218637
2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218655
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 79218652
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 79218644

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline (CID 79226500) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline is Ic1ccccc1NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline?
The InChIKey is XGVKKMHIDCMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c16-13-6-2-3-7-14(13)17-9-11-10-18-15-8-4-1-5-12(11)15/h1-8,11,17H,9-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline has a molecular weight of 351.19 g/mol, XLogP of 3.88, 3 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-3-ylmethyl)-2-iodoaniline is sourced from PubChem (CID 79226500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).