N-[(4-thiophen-3-ylphenyl)methyl]ethanamine

C13H15NS — CID 65100759

IUPACN-[(4-thiophen-3-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C13H15NS/c1-2-14-9-11-3-5-12(6-4-11)13-7-8-15-10-13/h3-8,10,14H,2,9H2,1H3
InChIKeyBLHOOYBTBTYYFS-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-thiophen-3-ylphenyl)methyl]ethanamine

N-[(4-thiophen-3-ylphenyl)methyl]ethanamine (PubChem CID 65100759) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-[(4-thiophen-3-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-thiophen-3-ylphenyl)methyl]ethanamine
PubChem CID65100759
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN-[(4-thiophen-3-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C13H15NS/c1-2-14-9-11-3-5-12(6-4-11)13-7-8-15-10-13/h3-8,10,14H,2,9H2,1H3
InChIKeyBLHOOYBTBTYYFS-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
4-thiophen-3-ylphenol
CID 4130342
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
3-[[4-[(E)-C-methyl-N-[(4-thiophen-3-ylphenyl)methoxy]carbonimidoyl]phenyl]methylamino]propanoic acid
CID 59218020
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[4-(chloromethyl)phenyl]methyl]ethanamine
CID 107232930
N-[(3-fluoro-4-thiophen-3-ylphenyl)methyl]propan-1-amine
CID 81447253
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene
CID 177473683

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-3-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-thiophen-3-ylphenyl)methyl]ethanamine (CID 65100759) is N-[(4-thiophen-3-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-thiophen-3-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-thiophen-3-ylphenyl)methyl]ethanamine is CCNCc1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[(4-thiophen-3-ylphenyl)methyl]ethanamine?
The InChIKey is BLHOOYBTBTYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-14-9-11-3-5-12(6-4-11)13-7-8-15-10-13/h3-8,10,14H,2,9H2,1H3.
What are the key properties of N-[(4-thiophen-3-ylphenyl)methyl]ethanamine?
N-[(4-thiophen-3-ylphenyl)methyl]ethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-3-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 65100759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).