(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine

C10H12ClNO3 — CID 5412015

IUPAC(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OC
InChIInChI=1S/C10H12ClNO3/c1-3-15-9-5-7(6-12-13)4-8(11)10(9)14-2/h4-6,13H,3H2,1-2H3/b12-6-
InChIKeyKSIQIJQOBJLICW-SDQBBNPISA-N
MW229.66 g/mol
LogP2.56
Rot. Bonds4

About (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 5412015) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID5412015
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OC
InChIInChI=1S/C10H12ClNO3/c1-3-15-9-5-7(6-12-13)4-8(11)10(9)14-2/h4-6,13H,3H2,1-2H3/b12-6-
InChIKeyKSIQIJQOBJLICW-SDQBBNPISA-N
XLogP2.56
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.56
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

(NZ)-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 124581265
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
CID 19617965
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22682909
(NE)-N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 42206329
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3511527
N-[[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22684998
(E)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-2-ol
CID 113360081

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine (CID 5412015) is (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine is CCOc1cc(/C=N\O)cc(Cl)c1OC.
What is the InChIKey of (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is KSIQIJQOBJLICW-SDQBBNPISA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-15-9-5-7(6-12-13)4-8(11)10(9)14-2/h4-6,13H,3H2,1-2H3/b12-6-.
What are the key properties of (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 229.66 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5412015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).