(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine

C14H14N2O3 — CID 78938194

IUPAC(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-10(15)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)16(17)18/h2-10H,15H2,1H3/t10-/m1/s1
InChIKeyQSSOGPUXPHHCPM-SNVBAGLBSA-N
MW258.28 g/mol
LogP3.41
Rot. Bonds4

About (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine

(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine (PubChem CID 78938194) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
PubChem CID78938194
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-10(15)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)16(17)18/h2-10H,15H2,1H3/t10-/m1/s1
InChIKeyQSSOGPUXPHHCPM-SNVBAGLBSA-N
XLogP3.41
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.41
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

(1S)-1-[4-(2-methyl-5-nitrophenoxy)phenyl]ethanamine
CID 63370156
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
CID 61031257
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505
(1R)-2-methyl-1-(4-nitrophenyl)butan-1-amine;hydrochloride
CID 171198272
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
methyl (2S)-2-amino-3-[4-(4-nitrophenoxy)phenyl]propanoate
CID 70304530

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine (CID 78938194) is (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine?
The InChIKey is QSSOGPUXPHHCPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10(15)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)16(17)18/h2-10H,15H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine?
(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine has a molecular weight of 258.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 78938194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).