[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid

C8H14N2O6S — CID 70462487

IUPAC[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid
SMILESNCOc1cccc(OCN)c1.O=S(=O)(O)O
InChIInChI=1S/C8H12N2O2.H2O4S/c9-5-11-7-2-1-3-8(4-7)12-6-10;1-5(2,3)4/h1-4H,5-6,9-10H2;(H2,1,2,3,4)
InChIKeyXOKQIEJQZWEPAZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.38
Rot. Bonds4

About [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid

[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid (PubChem CID 70462487) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid.

Molecular Properties

Compound Name[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid
PubChem CID70462487
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid
SMILESNCOc1cccc(OCN)c1.O=S(=O)(O)O
InChIInChI=1S/C8H12N2O2.H2O4S/c9-5-11-7-2-1-3-8(4-7)12-6-10;1-5(2,3)4/h1-4H,5-6,9-10H2;(H2,1,2,3,4)
InChIKeyXOKQIEJQZWEPAZ-UHFFFAOYSA-N
XLogP-0.38
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.38
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethoxy)phenyl]-N-ethylhydroxylamine;sulfuric acid
CID 87458578
2-[3-(3-sulfopropoxy)phenoxy]acetic acid
CID 57249384
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
CID 3524641
[3-(sulfanylmethoxy)phenoxy]methanethiol
CID 22238691
ethane-1,2-diamine;phenyl hydrogen sulfate
CID 70504124
2-[4-(aminomethoxy)phenyl]sulfonylethyl hydrogen sulfate
CID 54164384
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
[2-hydroxy-3-[3-(2-hydroxy-2-sulfooxyethoxy)phenoxy]propyl] hydrogen sulfate
CID 123335934
[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
CID 139970952
azane;phenoxybenzene;sulfuric acid
CID 66973780

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid?
The IUPAC name of [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid (CID 70462487) is [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid.
What is the SMILES notation for [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid?
The canonical SMILES for [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid is NCOc1cccc(OCN)c1.O=S(=O)(O)O.
What is the InChIKey of [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid?
The InChIKey is XOKQIEJQZWEPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.H2O4S/c9-5-11-7-2-1-3-8(4-7)12-6-10;1-5(2,3)4/h1-4H,5-6,9-10H2;(H2,1,2,3,4).
What are the key properties of [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid?
[3-(aminomethoxy)phenoxy]methanamine;sulfuric acid has a molecular weight of 266.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethoxy)phenoxy]methanamine;sulfuric acid is sourced from PubChem (CID 70462487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).