(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine

C15H16N2O4 — CID 103201771

IUPAC(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2ccccc2[C@@H](C)N)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-10(16)12-5-3-4-6-14(12)21-11-7-8-15(20-2)13(9-11)17(18)19/h3-10H,16H2,1-2H3/t10-/m1/s1
InChIKeyMIHOHPUNHRLOCW-SNVBAGLBSA-N
MW288.30 g/mol
LogP3.42
Rot. Bonds5

About (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine

(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine (PubChem CID 103201771) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
PubChem CID103201771
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2ccccc2[C@@H](C)N)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-10(16)12-5-3-4-6-14(12)21-11-7-8-15(20-2)13(9-11)17(18)19/h3-10H,16H2,1-2H3/t10-/m1/s1
InChIKeyMIHOHPUNHRLOCW-SNVBAGLBSA-N
XLogP3.42
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 79166618
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
(1S)-1-[2-(2,4-dimethyl-6-nitrophenoxy)phenyl]ethanamine
CID 63370124
(1R)-1-[2-(3-bromo-5-nitrophenoxy)phenyl]ethanamine
CID 103588801
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[2-(4-bromo-2-methyl-6-nitrophenoxy)phenyl]ethanamine
CID 79842050
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine (CID 103201771) is (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine is COc1ccc(Oc2ccccc2[C@@H](C)N)cc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine?
The InChIKey is MIHOHPUNHRLOCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(16)12-5-3-4-6-14(12)21-11-7-8-15(20-2)13(9-11)17(18)19/h3-10H,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine?
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine has a molecular weight of 288.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 103201771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).