N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine

C14H15FINS — CID 114260893

IUPACN-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-9(2)17-8-10-6-7-13(18-10)11-4-3-5-12(15)14(11)16/h3-7,9,17H,8H2,1-2H3
InChIKeyYVHVJRKFCKOCNM-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.66
Rot. Bonds4

About N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine

N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 114260893) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID114260893
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC NameN-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-9(2)17-8-10-6-7-13(18-10)11-4-3-5-12(15)14(11)16/h3-7,9,17H,8H2,1-2H3
InChIKeyYVHVJRKFCKOCNM-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
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

N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
CID 103586918
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 62814253
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 114260892
(2R)-2-[[5-(2-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120511126
N-[[5-(3-bromoquinolin-8-yl)thiophen-2-yl]methyl]propan-2-amine
CID 116785277
1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 51114899
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 107368888
1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride
CID 51114898
1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62346262
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine (CID 114260893) is N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cccc(F)c2I)s1.
What is the InChIKey of N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is YVHVJRKFCKOCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-9(2)17-8-10-6-7-13(18-10)11-4-3-5-12(15)14(11)16/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 375.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114260893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).