(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine

C11H15FN2O4 — CID 164786257

IUPAC(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
SMILESCOc1cc(F)c(COC[C@@H](C)N)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O4/c1-7(13)5-18-6-8-3-10(14(15)16)11(17-2)4-9(8)12/h3-4,7H,5-6,13H2,1-2H3/t7-/m1/s1
InChIKeyLIAJYYZMFKWAGK-SSDOTTSWSA-N
MW258.25 g/mol
LogP1.61
Rot. Bonds6

About (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine

(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine (PubChem CID 164786257) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
PubChem CID164786257
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
SMILESCOc1cc(F)c(COC[C@@H](C)N)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O4/c1-7(13)5-18-6-8-3-10(14(15)16)11(17-2)4-9(8)12/h3-4,7H,5-6,13H2,1-2H3/t7-/m1/s1
InChIKeyLIAJYYZMFKWAGK-SSDOTTSWSA-N
XLogP1.61
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.61
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

1-fluoro-5-methoxy-4-nitro-2-(propoxymethyl)benzene
CID 155692114
4-(2,4-dimethoxy-5-nitrophenyl)butan-2-amine
CID 112720882
1-fluoro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
CID 122235323
[(2R)-1-[(2,3-difluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]azanium
CID 155692174
methyl (2S)-2-amino-3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]propanoate
CID 135564323
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
(2R)-1-[(4-bromo-3-nitrophenyl)methoxy]propan-2-amine
CID 166595541
(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine
CID 11063781
1-N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 102809457
2-fluoro-5-methoxy-N-(3-methylpentan-2-yl)-4-nitroaniline
CID 103883397
5-(2-aminopropyl)-2-methoxy-4-nitrophenol
CID 170864461
1-methoxy-2-(2-methylpropoxymethyl)-4-nitrobenzene
CID 91621448

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
The IUPAC name of (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine (CID 164786257) is (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine is COc1cc(F)c(COC[C@@H](C)N)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
The InChIKey is LIAJYYZMFKWAGK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-7(13)5-18-6-8-3-10(14(15)16)11(17-2)4-9(8)12/h3-4,7H,5-6,13H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine has a molecular weight of 258.25 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine is sourced from PubChem (CID 164786257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).