N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine

C13H13F2NS — CID 115767520

IUPACN-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
SMILESFc1cc(F)cc(CNCCc2cccs2)c1
InChIInChI=1S/C13H13F2NS/c14-11-6-10(7-12(15)8-11)9-16-4-3-13-2-1-5-17-13/h1-2,5-8,16H,3-4,9H2
InChIKeyYEQQCHLXBDWSJB-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.36
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine

N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 115767520) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID115767520
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
SMILESFc1cc(F)cc(CNCCc2cccs2)c1
InChIInChI=1S/C13H13F2NS/c14-11-6-10(7-12(15)8-11)9-16-4-3-13-2-1-5-17-13/h1-2,5-8,16H,3-4,9H2
InChIKeyYEQQCHLXBDWSJB-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'}

Analyze N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine 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-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43312639
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 39361390
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
1-(3,5-difluorophenyl)-4-thiophen-2-ylbutan-2-one
CID 55236513
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-[(3-methoxy-5-nitrophenyl)methyl]-2-thiophen-2-ylethanamine
CID 81150404

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine (CID 115767520) is N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine is Fc1cc(F)cc(CNCCc2cccs2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is YEQQCHLXBDWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c14-11-6-10(7-12(15)8-11)9-16-4-3-13-2-1-5-17-13/h1-2,5-8,16H,3-4,9H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine?
N-[(3,5-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-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115767520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).