N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine

C18H14INO — CID 43759496

IUPACN-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine
SMILESIc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)o1
InChIInChI=1S/C18H14INO/c19-18-8-6-15(21-18)11-20-14-5-7-17-13(10-14)9-12-3-1-2-4-16(12)17/h1-8,10,20H,9,11H2
InChIKeySZPRSZLUZLZDML-UHFFFAOYSA-N
MW387.22 g/mol
LogP5.07
Rot. Bonds3

About N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine

N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine (PubChem CID 43759496) has the molecular formula C18H14INO and a molecular weight of 387.22 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine
PubChem CID43759496
Molecular FormulaC18H14INO
Molecular Weight387.22 g/mol
Exact Mass387.01
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine
SMILESIc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)o1
InChIInChI=1S/C18H14INO/c19-18-8-6-15(21-18)11-20-14-5-7-17-13(10-14)9-12-3-1-2-4-16(12)17/h1-8,10,20H,9,11H2
InChIKeySZPRSZLUZLZDML-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 55.07
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 N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine (CID 43759496) is N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine is Ic1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine?
The InChIKey is SZPRSZLUZLZDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO/c19-18-8-6-15(21-18)11-20-14-5-7-17-13(10-14)9-12-3-1-2-4-16(12)17/h1-8,10,20H,9,11H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine?
N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine has a molecular weight of 387.22 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine is sourced from PubChem (CID 43759496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).