2-nitro-N-(2-phenylethyl)aniline

C14H14N2O2 — CID 2920933

IUPAC2-nitro-N-(2-phenylethyl)aniline
SMILESO=[N+]([O-])c1ccccc1NCCc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-16(18)14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyROBBUBPDMDQMGG-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.25
Rot. Bonds5

About 2-nitro-N-(2-phenylethyl)aniline

2-nitro-N-(2-phenylethyl)aniline (PubChem CID 2920933) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-nitro-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-nitro-N-(2-phenylethyl)aniline
PubChem CID2920933
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-nitro-N-(2-phenylethyl)aniline
SMILESO=[N+]([O-])c1ccccc1NCCc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-16(18)14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyROBBUBPDMDQMGG-UHFFFAOYSA-N
XLogP3.25
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-phenylethyl)aniline?
The IUPAC name of 2-nitro-N-(2-phenylethyl)aniline (CID 2920933) is 2-nitro-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-nitro-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-nitro-N-(2-phenylethyl)aniline is O=[N+]([O-])c1ccccc1NCCc1ccccc1.
What is the InChIKey of 2-nitro-N-(2-phenylethyl)aniline?
The InChIKey is ROBBUBPDMDQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-16(18)14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 2-nitro-N-(2-phenylethyl)aniline?
2-nitro-N-(2-phenylethyl)aniline has a molecular weight of 242.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-phenylethyl)aniline is sourced from PubChem (CID 2920933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).