2-(2,3-dimethyl-4-nitrophenoxy)ethanamine

C10H14N2O3 — CID 82673085

IUPAC2-(2,3-dimethyl-4-nitrophenoxy)ethanamine
SMILESCc1c(OCCN)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O3/c1-7-8(2)10(15-6-5-11)4-3-9(7)12(13)14/h3-4H,5-6,11H2,1-2H3
InChIKeyNUMSWRJRVFDLGK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.55
Rot. Bonds4

About 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine

2-(2,3-dimethyl-4-nitrophenoxy)ethanamine (PubChem CID 82673085) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-nitrophenoxy)ethanamine
PubChem CID82673085
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2,3-dimethyl-4-nitrophenoxy)ethanamine
SMILESCc1c(OCCN)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O3/c1-7-8(2)10(15-6-5-11)4-3-9(7)12(13)14/h3-4H,5-6,11H2,1-2H3
InChIKeyNUMSWRJRVFDLGK-UHFFFAOYSA-N
XLogP1.55
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.55
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

4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 55065259
6-(4-methylsulfonyl-2-nitrophenoxy)hexan-1-amine
CID 167530155
4-(2-aminoethoxy)-3-nitrobenzoic acid
CID 69332360
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
1-(3-bromopropoxy)-2-methyl-3-nitrobenzene
CID 43437961
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
CID 43437970
1-but-3-ynoxy-2-methyl-3-nitrobenzene
CID 63655623
2-[2-(2,4-dimethyl-5-nitrophenoxy)ethoxy]ethanamine
CID 114088127
3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)oxy]propan-1-amine
CID 62348820
2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride
CID 138985745

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine?
The IUPAC name of 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine (CID 82673085) is 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine.
What is the SMILES notation for 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine?
The canonical SMILES for 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine is Cc1c(OCCN)ccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine?
The InChIKey is NUMSWRJRVFDLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-8(2)10(15-6-5-11)4-3-9(7)12(13)14/h3-4H,5-6,11H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine?
2-(2,3-dimethyl-4-nitrophenoxy)ethanamine has a molecular weight of 210.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-nitrophenoxy)ethanamine is sourced from PubChem (CID 82673085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).