N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine

C14H15FINS — CID 115791930

IUPACN-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1csc(I)c1
InChIInChI=1S/C14H15FINS/c1-2-6-17-14(11-8-13(16)18-9-11)10-4-3-5-12(15)7-10/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyVVIOOUMVMGNMIC-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.58
Rot. Bonds5

About N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine

N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine (PubChem CID 115791930) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
PubChem CID115791930
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC NameN-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1csc(I)c1
InChIInChI=1S/C14H15FINS/c1-2-6-17-14(11-8-13(16)18-9-11)10-4-3-5-12(15)7-10/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyVVIOOUMVMGNMIC-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 107561776
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 79692841
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(3-bromo-4-ethoxyphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 104657751
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine (CID 115791930) is N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1csc(I)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is VVIOOUMVMGNMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-2-6-17-14(11-8-13(16)18-9-11)10-4-3-5-12(15)7-10/h3-5,7-9,14,17H,2,6H2,1H3.
What are the key properties of N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine?
N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine has a molecular weight of 375.25 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115791930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).