2-[4-(3-nitrophenyl)phenyl]ethanamine

C14H14N2O2 — CID 54428619

IUPAC2-[4-(3-nitrophenyl)phenyl]ethanamine
SMILESNCCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H14N2O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(10-13)16(17)18/h1-7,10H,8-9,15H2
InChIKeyWFXLCKYWQUUCMG-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.76
Rot. Bonds4

About 2-[4-(3-nitrophenyl)phenyl]ethanamine

2-[4-(3-nitrophenyl)phenyl]ethanamine (PubChem CID 54428619) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[4-(3-nitrophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-nitrophenyl)phenyl]ethanamine
PubChem CID54428619
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[4-(3-nitrophenyl)phenyl]ethanamine
SMILESNCCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H14N2O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(10-13)16(17)18/h1-7,10H,8-9,15H2
InChIKeyWFXLCKYWQUUCMG-UHFFFAOYSA-N
XLogP2.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.76
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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Related Compounds

2-[5-(3-nitrophenyl)pyrimidin-2-yl]ethanamine
CID 135155089
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
2-(3-nitrophenyl)ethanamine;2-[2-(3-nitrophenyl)ethyl]isoindole-1,3-dione
CID 162171519
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
2-[3-(3-nitrophenyl)pyrazol-1-yl]ethanamine
CID 50896469
formic acid;1-nitro-3-phenylbenzene
CID 158057338
1-(2-iodoethyl)-3-nitrobenzene
CID 53237888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-nitrophenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-nitrophenyl)phenyl]ethanamine (CID 54428619) is 2-[4-(3-nitrophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-nitrophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-nitrophenyl)phenyl]ethanamine is NCCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-[4-(3-nitrophenyl)phenyl]ethanamine?
The InChIKey is WFXLCKYWQUUCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(10-13)16(17)18/h1-7,10H,8-9,15H2.
What are the key properties of 2-[4-(3-nitrophenyl)phenyl]ethanamine?
2-[4-(3-nitrophenyl)phenyl]ethanamine has a molecular weight of 242.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-nitrophenyl)phenyl]ethanamine is sourced from PubChem (CID 54428619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).