N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine

C14H16N2O2S — CID 43534507

IUPACN-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-11(14-3-2-10-19-14)15-9-8-12-4-6-13(7-5-12)16(17)18/h2-7,10-11,15H,8-9H2,1H3
InChIKeyPBCQXXIEFRUGTJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine

N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 43534507) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID43534507
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-11(14-3-2-10-19-14)15-9-8-12-4-6-13(7-5-12)16(17)18/h2-7,10-11,15H,8-9H2,1H3
InChIKeyPBCQXXIEFRUGTJ-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylthiophen-2-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 61218700
1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 115345078
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
N-[(4-methyl-3-nitrophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43223478
1-(5-bromofuran-2-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 104652865
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 62119571
3-methyl-N-[2-(4-nitrophenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905303
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
N-[3-[1-[2-(4-nitrophenyl)ethylamino]ethyl]phenyl]acetamide
CID 119165284
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
2-methyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61219672
4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
CID 61220619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine (CID 43534507) is N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine is CC(NCCc1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is PBCQXXIEFRUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11(14-3-2-10-19-14)15-9-8-12-4-6-13(7-5-12)16(17)18/h2-7,10-11,15H,8-9H2,1H3.
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 276.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43534507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).