N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine

C13H13F2NS — CID 43312639

IUPACN-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
SMILESFc1ccc(F)c(CNCCc2cccs2)c1
InChIInChI=1S/C13H13F2NS/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2
InChIKeyNASNBEOVYWVMAP-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.36
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine

N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 43312639) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID43312639
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
SMILESFc1ccc(F)c(CNCCc2cccs2)c1
InChIInChI=1S/C13H13F2NS/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2
InChIKeyNASNBEOVYWVMAP-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 43425059
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783470
N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
CID 78968564
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55237246
4-fluoro-3-[(thiophen-2-ylmethylamino)methyl]benzonitrile
CID 43245336
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine (CID 43312639) is N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine is Fc1ccc(F)c(CNCCc2cccs2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is NASNBEOVYWVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 253.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 43312639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).