N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine

C14H14INO — CID 43624861

IUPACN-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESIc1ccccc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H14INO/c15-13-4-2-1-3-12(13)14-8-7-11(17-14)9-16-10-5-6-10/h1-4,7-8,10,16H,5-6,9H2
InChIKeyPKIMHAYTAJIHLC-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.80
Rot. Bonds4

About N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 43624861) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID43624861
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC NameN-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESIc1ccccc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H14INO/c15-13-4-2-1-3-12(13)14-8-7-11(17-14)9-16-10-5-6-10/h1-4,7-8,10,16H,5-6,9H2
InChIKeyPKIMHAYTAJIHLC-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.80
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

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887909
N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
CID 43808705
N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888229
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
4-[(5-phenylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509758
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine (CID 43624861) is N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine is Ic1ccccc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PKIMHAYTAJIHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c15-13-4-2-1-3-12(13)14-8-7-11(17-14)9-16-10-5-6-10/h1-4,7-8,10,16H,5-6,9H2.
What are the key properties of N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 339.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43624861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).