N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

C15H16INO2 — CID 62484968

IUPACN-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESIc1cccc(OCc2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C15H16INO2/c16-11-2-1-3-13(8-11)18-10-15-7-6-14(19-15)9-17-12-4-5-12/h1-3,6-8,12,17H,4-5,9-10H2
InChIKeyRAWUJXJKNPCDSS-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.72
Rot. Bonds6

About N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62484968) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62484968
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC NameN-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESIc1cccc(OCc2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C15H16INO2/c16-11-2-1-3-13(8-11)18-10-15-7-6-14(19-15)9-17-12-4-5-12/h1-3,6-8,12,17H,4-5,9-10H2
InChIKeyRAWUJXJKNPCDSS-UHFFFAOYSA-N
XLogP3.72
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62452592
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62454835
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62484968) is N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Ic1cccc(OCc2ccc(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RAWUJXJKNPCDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c16-11-2-1-3-13(8-11)18-10-15-7-6-14(19-15)9-17-12-4-5-12/h1-3,6-8,12,17H,4-5,9-10H2.
What are the key properties of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 369.20 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62484968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).