(1S)-1-(4-nitrophenyl)ethanamine

C8H10N2O2 — CID 1268055

IUPAC(1S)-1-(4-nitrophenyl)ethanamine
SMILESC[C@H](N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/m0/s1
InChIKeyRAEVOBPXEHVUFY-LURJTMIESA-N
MW166.18 g/mol
LogP1.61
Rot. Bonds2

About (1S)-1-(4-nitrophenyl)ethanamine

(1S)-1-(4-nitrophenyl)ethanamine (PubChem CID 1268055) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (1S)-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-nitrophenyl)ethanamine
PubChem CID1268055
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(1S)-1-(4-nitrophenyl)ethanamine
SMILESC[C@H](N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/m0/s1
InChIKeyRAEVOBPXEHVUFY-LURJTMIESA-N
XLogP1.61
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.61
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 (1S)-1-(4-nitrophenyl)ethanamine?
The IUPAC name of (1S)-1-(4-nitrophenyl)ethanamine (CID 1268055) is (1S)-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-nitrophenyl)ethanamine is C[C@H](N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1S)-1-(4-nitrophenyl)ethanamine?
The InChIKey is RAEVOBPXEHVUFY-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-nitrophenyl)ethanamine?
(1S)-1-(4-nitrophenyl)ethanamine has a molecular weight of 166.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 1268055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).