1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine

C14H16N2O2S — CID 43147647

IUPAC1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(NC(C)c1ccccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-10(15-11(2)14-8-5-9-19-14)12-6-3-4-7-13(12)16(17)18/h3-11,15H,1-2H3
InChIKeyLZEIAOQFMOYLTO-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.07
Rot. Bonds5

About 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine

1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine (PubChem CID 43147647) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
PubChem CID43147647
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(NC(C)c1ccccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-10(15-11(2)14-8-5-9-19-14)12-6-3-4-7-13(12)16(17)18/h3-11,15H,1-2H3
InChIKeyLZEIAOQFMOYLTO-UHFFFAOYSA-N
XLogP4.07
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.07
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

N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398487
(1S)-1-(4-fluorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81348173
(1R)-1-(4-chlorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81349871
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
(1R)-1-(3-bromophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81381241
4-methylsulfinyl-N-[1-(2-nitrophenyl)ethyl]butan-2-amine
CID 115893071
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
1-methylsulfonyl-N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 64629572
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine (CID 43147647) is 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine is CC(NC(C)c1ccccc1[N+](=O)[O-])c1cccs1.
What is the InChIKey of 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The InChIKey is LZEIAOQFMOYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(15-11(2)14-8-5-9-19-14)12-6-3-4-7-13(12)16(17)18/h3-11,15H,1-2H3.
What are the key properties of 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine has a molecular weight of 276.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 43147647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).