(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine

C15H16N2O3 — CID 63367375

IUPAC(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-11(16)12-6-4-7-14(9-12)20-10-13-5-2-3-8-15(13)17(18)19/h2-9,11H,10,16H2,1H3/t11-/m0/s1
InChIKeyOPAWLRQWPQASCU-NSHDSACASA-N
MW272.30 g/mol
LogP3.19
Rot. Bonds5

About (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine

(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 63367375) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID63367375
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-11(16)12-6-4-7-14(9-12)20-10-13-5-2-3-8-15(13)17(18)19/h2-9,11H,10,16H2,1H3/t11-/m0/s1
InChIKeyOPAWLRQWPQASCU-NSHDSACASA-N
XLogP3.19
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.19
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

(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60881202
(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
CID 63368526
1-[4-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanamine
CID 60877871
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
(1S)-1-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367868
2-nitro-6-[(3-nitrophenoxy)methyl]aniline
CID 107352074
[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353306
1-[3-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanol
CID 63745649
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine (CID 63367375) is (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is OPAWLRQWPQASCU-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(16)12-6-4-7-14(9-12)20-10-13-5-2-3-8-15(13)17(18)19/h2-9,11H,10,16H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine has a molecular weight of 272.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63367375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).