N-(3-ethoxyphenyl)hydroxylamine

C8H11NO2 — CID 13347158

IUPACN-(3-ethoxyphenyl)hydroxylamine
SMILESCCOc1cccc(NO)c1
InChIInChI=1S/C8H11NO2/c1-2-11-8-5-3-4-7(6-8)9-10/h3-6,9-10H,2H2,1H3
InChIKeyZKWWZNQYRADEMB-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.89
Rot. Bonds3

About N-(3-ethoxyphenyl)hydroxylamine

N-(3-ethoxyphenyl)hydroxylamine (PubChem CID 13347158) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)hydroxylamine
PubChem CID13347158
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-(3-ethoxyphenyl)hydroxylamine
SMILESCCOc1cccc(NO)c1
InChIInChI=1S/C8H11NO2/c1-2-11-8-5-3-4-7(6-8)9-10/h3-6,9-10H,2H2,1H3
InChIKeyZKWWZNQYRADEMB-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-ethoxyaniline
CID 58745523
3-ethoxy-N-propylaniline
CID 54800867
N-(3-ethoxyphenyl)formamide
CID 57236062
1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)hydroxylamine?
The IUPAC name of N-(3-ethoxyphenyl)hydroxylamine (CID 13347158) is N-(3-ethoxyphenyl)hydroxylamine.
What is the SMILES notation for N-(3-ethoxyphenyl)hydroxylamine?
The canonical SMILES for N-(3-ethoxyphenyl)hydroxylamine is CCOc1cccc(NO)c1.
What is the InChIKey of N-(3-ethoxyphenyl)hydroxylamine?
The InChIKey is ZKWWZNQYRADEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8-5-3-4-7(6-8)9-10/h3-6,9-10H,2H2,1H3.
What are the key properties of N-(3-ethoxyphenyl)hydroxylamine?
N-(3-ethoxyphenyl)hydroxylamine has a molecular weight of 153.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)hydroxylamine is sourced from PubChem (CID 13347158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).