1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine

C15H18INO — CID 114257852

IUPAC1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(C)c(I)c2)o1
InChIInChI=1S/C15H18INO/c1-4-13(17-3)15-8-7-14(18-15)11-6-5-10(2)12(16)9-11/h5-9,13,17H,4H2,1-3H3
InChIKeyBWNQPLJELRKQPK-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.53
Rot. Bonds4

About 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine

1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine (PubChem CID 114257852) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
PubChem CID114257852
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC Name1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(C)c(I)c2)o1
InChIInChI=1S/C15H18INO/c1-4-13(17-3)15-8-7-14(18-15)11-6-5-10(2)12(16)9-11/h5-9,13,17H,4H2,1-3H3
InChIKeyBWNQPLJELRKQPK-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.53
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 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine (CID 114257852) is 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccc(C)c(I)c2)o1.
What is the InChIKey of 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
The InChIKey is BWNQPLJELRKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-4-13(17-3)15-8-7-14(18-15)11-6-5-10(2)12(16)9-11/h5-9,13,17H,4H2,1-3H3.
What are the key properties of 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine has a molecular weight of 355.22 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 114257852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).