1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine

C14H15FINS — CID 114260892

IUPAC1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-3-11(17-2)13-8-7-12(18-13)9-5-4-6-10(15)14(9)16/h4-8,11,17H,3H2,1-2H3
InChIKeyLCSSVBPVZCXDPY-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.83
Rot. Bonds4

About 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine

1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine (PubChem CID 114260892) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
PubChem CID114260892
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC Name1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-3-11(17-2)13-8-7-12(18-13)9-5-4-6-10(15)14(9)16/h4-8,11,17H,3H2,1-2H3
InChIKeyLCSSVBPVZCXDPY-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.83
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-(2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288164
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114260897
1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287778
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
1-[5-(4-bromo-2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 107792497
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine
CID 102806864
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-methylpropan-1-amine
CID 43288150

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine (CID 114260892) is 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cccc(F)c2I)s1.
What is the InChIKey of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The InChIKey is LCSSVBPVZCXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-3-11(17-2)13-8-7-12(18-13)9-5-4-6-10(15)14(9)16/h4-8,11,17H,3H2,1-2H3.
What are the key properties of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine?
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine has a molecular weight of 375.25 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 114260892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).