(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine

C11H16N2O4 — CID 71764907

IUPAC(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine
SMILESCO[C@H](c1ccccc1[N+](=O)[O-])[C@@H](CN)OC
InChIInChI=1S/C11H16N2O4/c1-16-10(7-12)11(17-2)8-5-3-4-6-9(8)13(14)15/h3-6,10-11H,7,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyMIMIDLVPJQQAFA-GHMZBOCLSA-N
MW240.26 g/mol
LogP1.26
Rot. Bonds6

About (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine

(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine (PubChem CID 71764907) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine
PubChem CID71764907
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine
SMILESCO[C@H](c1ccccc1[N+](=O)[O-])[C@@H](CN)OC
InChIInChI=1S/C11H16N2O4/c1-16-10(7-12)11(17-2)8-5-3-4-6-9(8)13(14)15/h3-6,10-11H,7,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyMIMIDLVPJQQAFA-GHMZBOCLSA-N
XLogP1.26
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.26
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-(1-methoxy-2-methylpropyl)-2-nitrobenzene
CID 173058022
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
methyl (2S)-2-(2-nitrophenyl)propanoate
CID 129390195
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
methyl (2S)-2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 171198321
methyl 2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 86767617
ethyl 2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 74433580
chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury
CID 14066916
1-(1-methoxysulfanylpropan-2-yl)-2-nitrobenzene
CID 69497659
methyl (2S,3R)-2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 90019008
[1-(2-nitrophenyl)-2-oxopropyl] 3-oxobutanoate
CID 174776740
methyl (3S)-3-amino-2,2-dimethyl-3-(2-nitrophenyl)propanoate;hydrochloride
CID 171245626

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine?
The IUPAC name of (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine (CID 71764907) is (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine.
What is the SMILES notation for (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine?
The canonical SMILES for (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine is CO[C@H](c1ccccc1[N+](=O)[O-])[C@@H](CN)OC.
What is the InChIKey of (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine?
The InChIKey is MIMIDLVPJQQAFA-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-10(7-12)11(17-2)8-5-3-4-6-9(8)13(14)15/h3-6,10-11H,7,12H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine?
(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine has a molecular weight of 240.26 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine is sourced from PubChem (CID 71764907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).