N-iodo-N-methyldibenzofuran-3-amine

C13H10INO — CID 155456331

IUPACN-iodo-N-methyldibenzofuran-3-amine
SMILESCN(I)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H10INO/c1-15(14)9-6-7-11-10-4-2-3-5-12(10)16-13(11)8-9/h2-8H,1H3
InChIKeyHLHDUGSSHNZOQM-UHFFFAOYSA-N
MW323.13 g/mol
LogP4.37
Rot. Bonds1

About N-iodo-N-methyldibenzofuran-3-amine

N-iodo-N-methyldibenzofuran-3-amine (PubChem CID 155456331) has the molecular formula C13H10INO and a molecular weight of 323.13 g/mol. Its IUPAC name is N-iodo-N-methyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-iodo-N-methyldibenzofuran-3-amine
PubChem CID155456331
Molecular FormulaC13H10INO
Molecular Weight323.13 g/mol
Exact Mass322.98
IUPAC NameN-iodo-N-methyldibenzofuran-3-amine
SMILESCN(I)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H10INO/c1-15(14)9-6-7-11-10-4-2-3-5-12(10)16-13(11)8-9/h2-8H,1H3
InChIKeyHLHDUGSSHNZOQM-UHFFFAOYSA-N
XLogP4.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 155041103
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
CID 168810641
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167184399
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyldibenzofuran-3-amine?
The IUPAC name of N-iodo-N-methyldibenzofuran-3-amine (CID 155456331) is N-iodo-N-methyldibenzofuran-3-amine.
What is the SMILES notation for N-iodo-N-methyldibenzofuran-3-amine?
The canonical SMILES for N-iodo-N-methyldibenzofuran-3-amine is CN(I)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-iodo-N-methyldibenzofuran-3-amine?
The InChIKey is HLHDUGSSHNZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO/c1-15(14)9-6-7-11-10-4-2-3-5-12(10)16-13(11)8-9/h2-8H,1H3.
What are the key properties of N-iodo-N-methyldibenzofuran-3-amine?
N-iodo-N-methyldibenzofuran-3-amine has a molecular weight of 323.13 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyldibenzofuran-3-amine is sourced from PubChem (CID 155456331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).