N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine

C15H18INO — CID 55185572

IUPACN-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine
SMILESCCNC(CC)c1ccc(-c2cccc(I)c2)o1
InChIInChI=1S/C15H18INO/c1-3-13(17-4-2)15-9-8-14(18-15)11-6-5-7-12(16)10-11/h5-10,13,17H,3-4H2,1-2H3
InChIKeyODKNRSYAUYWKAM-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.61
Rot. Bonds5

About N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine

N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine (PubChem CID 55185572) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine
PubChem CID55185572
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC NameN-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine
SMILESCCNC(CC)c1ccc(-c2cccc(I)c2)o1
InChIInChI=1S/C15H18INO/c1-3-13(17-4-2)15-9-8-14(18-15)11-6-5-7-12(16)10-11/h5-10,13,17H,3-4H2,1-2H3
InChIKeyODKNRSYAUYWKAM-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.61
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

1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107607500
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685
1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 62632746
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
1-[5-(3-bromo-4-nitrophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 82865906
N-ethyl-1-[5-(2-propylphenyl)furan-2-yl]propan-1-amine
CID 63398978
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 114257852
1-[5-(5-bromo-2-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398851
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine (CID 55185572) is N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine is CCNC(CC)c1ccc(-c2cccc(I)c2)o1.
What is the InChIKey of N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine?
The InChIKey is ODKNRSYAUYWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-3-13(17-4-2)15-9-8-14(18-15)11-6-5-7-12(16)10-11/h5-10,13,17H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine?
N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine has a molecular weight of 355.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 55185572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).