N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine

C9H15FN2S — CID 134343320

IUPACN'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1scc(C)c1F
InChIInChI=1S/C9H15FN2S/c1-7-6-13-8(9(7)10)5-12-4-3-11-2/h6,11-12H,3-5H2,1-2H3
InChIKeyGPQINHRZGPCBRD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.50
Rot. Bonds5

About N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine

N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 134343320) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID134343320
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC NameN'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1scc(C)c1F
InChIInChI=1S/C9H15FN2S/c1-7-6-13-8(9(7)10)5-12-4-3-11-2/h6,11-12H,3-5H2,1-2H3
InChIKeyGPQINHRZGPCBRD-UHFFFAOYSA-N
XLogP1.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine (CID 134343320) is N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine is CNCCNCc1scc(C)c1F.
What is the InChIKey of N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is GPQINHRZGPCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-7-6-13-8(9(7)10)5-12-4-3-11-2/h6,11-12H,3-5H2,1-2H3.
What are the key properties of N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine?
N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 134343320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).