N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine

C12H15Br2NO3 — CID 57360359

IUPACN-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine
SMILESCCCOc1c(OCC)cc(C=NO)c(Br)c1Br
InChIInChI=1S/C12H15Br2NO3/c1-3-5-18-12-9(17-4-2)6-8(7-15-16)10(13)11(12)14/h6-7,16H,3-5H2,1-2H3
InChIKeyJQWCUVXACVOZMJ-UHFFFAOYSA-N
MW381.06 g/mol
LogP4.21
Rot. Bonds6

About N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine

N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine (PubChem CID 57360359) has the molecular formula C12H15Br2NO3 and a molecular weight of 381.06 g/mol. Its IUPAC name is N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine
PubChem CID57360359
Molecular FormulaC12H15Br2NO3
Molecular Weight381.06 g/mol
Exact Mass378.94
IUPAC NameN-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine
SMILESCCCOc1c(OCC)cc(C=NO)c(Br)c1Br
InChIInChI=1S/C12H15Br2NO3/c1-3-5-18-12-9(17-4-2)6-8(7-15-16)10(13)11(12)14/h6-7,16H,3-5H2,1-2H3
InChIKeyJQWCUVXACVOZMJ-UHFFFAOYSA-N
XLogP4.21
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylideneamino]urea
CID 168533287
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530765
5-[(2,3-dibromo-4-butoxy-5-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599377
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
CID 75574757
N-[(2,3-dibromo-4,5-diethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618822
3-(3-bromo-5-ethoxy-4-propoxyphenyl)prop-2-enoic acid
CID 57360342
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
CID 19578166
6-bromo-3-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126313966
2-N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627558
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine (CID 57360359) is N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine is CCCOc1c(OCC)cc(C=NO)c(Br)c1Br.
What is the InChIKey of N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine?
The InChIKey is JQWCUVXACVOZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO3/c1-3-5-18-12-9(17-4-2)6-8(7-15-16)10(13)11(12)14/h6-7,16H,3-5H2,1-2H3.
What are the key properties of N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine?
N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine has a molecular weight of 381.06 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 57360359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).