N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid

C9H16N2O6S — CID 87458578

IUPACN-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid
SMILESCCN(O)c1ccc(OCN)cc1.O=S(=O)(O)O
InChIInChI=1S/C9H14N2O2.H2O4S/c1-2-11(12)8-3-5-9(6-4-8)13-7-10;1-5(2,3)4/h3-6,12H,2,7,10H2,1H3;(H2,1,2,3,4)
InChIKeyJXEPTDKRQQVRRX-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.54
Rot. Bonds4

About N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid

N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid (PubChem CID 87458578) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid.

Molecular Properties

Compound NameN-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid
PubChem CID87458578
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC NameN-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid
SMILESCCN(O)c1ccc(OCN)cc1.O=S(=O)(O)O
InChIInChI=1S/C9H14N2O2.H2O4S/c1-2-11(12)8-3-5-9(6-4-8)13-7-10;1-5(2,3)4/h3-6,12H,2,7,10H2,1H3;(H2,1,2,3,4)
InChIKeyJXEPTDKRQQVRRX-UHFFFAOYSA-N
XLogP0.54
TPSA133.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid
CID 70462487
2-[4-(aminomethoxy)phenyl]sulfonylethyl hydrogen sulfate
CID 54164384
ethane;(4-ethylphenoxy)methanamine
CID 145400359
N-(4-ethoxyphenyl)ethanesulfonohydrazide
CID 21126675
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944
4-ethoxybenzenesulfonic acid
CID 7013020
2-(4-ethoxy-N-ethylsulfonylanilino)acetamide
CID 50893065
(4-ethoxyphenyl)sulfonylformamide
CID 117038031
N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772430
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
4-[4-[(E)-2-[4-[ethyl(hydroxy)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonic acid
CID 21344053

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid?
The IUPAC name of N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid (CID 87458578) is N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid.
What is the SMILES notation for N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid?
The canonical SMILES for N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid is CCN(O)c1ccc(OCN)cc1.O=S(=O)(O)O.
What is the InChIKey of N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid?
The InChIKey is JXEPTDKRQQVRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.H2O4S/c1-2-11(12)8-3-5-9(6-4-8)13-7-10;1-5(2,3)4/h3-6,12H,2,7,10H2,1H3;(H2,1,2,3,4).
What are the key properties of N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid?
N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid has a molecular weight of 280.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid is sourced from PubChem (CID 87458578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).