N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine

C14H16N2O2S — CID 43432789

IUPACN-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O2S/c1-11(9-14-3-2-8-19-14)15-10-12-4-6-13(7-5-12)16(17)18/h2-8,11,15H,9-10H2,1H3
InChIKeyJUHGBEYDYFZTDV-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.38
Rot. Bonds6

About N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43432789) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43432789
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O2S/c1-11(9-14-3-2-8-19-14)15-10-12-4-6-13(7-5-12)16(17)18/h2-8,11,15H,9-10H2,1H3
InChIKeyJUHGBEYDYFZTDV-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
4,4,4-trifluoro-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 103901295
3-fluoro-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 63292518
N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 43534507
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
2,6-dimethyl-N-[(4-nitrophenyl)methyl]heptan-4-amine
CID 63450301
1-ethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111673857
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63016395
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43432789) is N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is JUHGBEYDYFZTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11(9-14-3-2-8-19-14)15-10-12-4-6-13(7-5-12)16(17)18/h2-8,11,15H,9-10H2,1H3.
What are the key properties of N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 276.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43432789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).