(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine

C11H14ClNO3 — CID 19617932

IUPAC(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
SMILESCCCOc1c(Cl)cc(/C=N/O)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-3-4-16-11-9(12)5-8(7-13-14)6-10(11)15-2/h5-7,14H,3-4H2,1-2H3/b13-7+
InChIKeyWMRDHNYHDYPEFC-NTUHNPAUSA-N
MW243.69 g/mol
LogP2.95
Rot. Bonds5

About (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine (PubChem CID 19617932) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
PubChem CID19617932
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
SMILESCCCOc1c(Cl)cc(/C=N/O)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-3-4-16-11-9(12)5-8(7-13-14)6-10(11)15-2/h5-7,14H,3-4H2,1-2H3/b13-7+
InChIKeyWMRDHNYHDYPEFC-NTUHNPAUSA-N
XLogP2.95
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.95
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

N-[[3-chloro-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 22686186
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123
[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 19617933
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681380
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
CID 8989020
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8989016
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19061551
N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22682909
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine (CID 19617932) is (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine is CCCOc1c(Cl)cc(/C=N/O)cc1OC.
What is the InChIKey of (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine?
The InChIKey is WMRDHNYHDYPEFC-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-4-16-11-9(12)5-8(7-13-14)6-10(11)15-2/h5-7,14H,3-4H2,1-2H3/b13-7+.
What are the key properties of (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine has a molecular weight of 243.69 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 19617932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).