N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C15H13Cl2NO3 — CID 22680693

IUPACN-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cccc(C=NO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO3/c1-20-14-7-2-4-10(8-18-19)15(14)21-9-11-12(16)5-3-6-13(11)17/h2-8,19H,9H2,1H3
InChIKeyVDDKHJRIUODTSZ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.39
Rot. Bonds5

About N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 22680693) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID22680693
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cccc(C=NO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO3/c1-20-14-7-2-4-10(8-18-19)15(14)21-9-11-12(16)5-3-6-13(11)17/h2-8,19H,9H2,1H3
InChIKeyVDDKHJRIUODTSZ-UHFFFAOYSA-N
XLogP4.39
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.39
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-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
3-chloro-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842416
(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 10104391
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267
N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110340270
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 22680693) is N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cccc(C=NO)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is VDDKHJRIUODTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-14-7-2-4-10(8-18-19)15(14)21-9-11-12(16)5-3-6-13(11)17/h2-8,19H,9H2,1H3.
What are the key properties of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 326.18 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22680693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).