(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H10Cl3NO2 — CID 42303354

IUPAC(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H10Cl3NO2/c15-12-5-6-13(16)14(17)11(12)8-20-10-3-1-9(2-4-10)7-18-19/h1-7,19H,8H2/b18-7+
InChIKeyNRSOPWOZMMBRCP-CNHKJKLMSA-N
MW330.60 g/mol
LogP5.03
Rot. Bonds4

About (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 42303354) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID42303354
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H10Cl3NO2/c15-12-5-6-13(16)14(17)11(12)8-20-10-3-1-9(2-4-10)7-18-19/h1-7,19H,8H2/b18-7+
InChIKeyNRSOPWOZMMBRCP-CNHKJKLMSA-N
XLogP5.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-methyl-N-[(E)-[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339767
1-methyl-3-[(Z)-[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6155707
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
CID 50896716
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
(NZ)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 5409333
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 820947
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 42303354) is (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1.
What is the InChIKey of (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is NRSOPWOZMMBRCP-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c15-12-5-6-13(16)14(17)11(12)8-20-10-3-1-9(2-4-10)7-18-19/h1-7,19H,8H2/b18-7+.
What are the key properties of (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 330.60 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42303354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).