N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine

C15H14ClNO3 — CID 20984024

IUPACN-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)ccc1OCCOc1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-13-6-7-15(12(10-13)11-17-18)20-9-8-19-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9H2
InChIKeyPIWLMYHCGABVQJ-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.61
Rot. Bonds6

About N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine

N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 20984024) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
PubChem CID20984024
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)ccc1OCCOc1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-13-6-7-15(12(10-13)11-17-18)20-9-8-19-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9H2
InChIKeyPIWLMYHCGABVQJ-UHFFFAOYSA-N
XLogP3.61
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984350
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
3-[5-chloro-2-[2-(4-phenylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22680952
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 124555225
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine (CID 20984024) is N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine is ON=Cc1cc(Cl)ccc1OCCOc1ccccc1.
What is the InChIKey of N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is PIWLMYHCGABVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-13-6-7-15(12(10-13)11-17-18)20-9-8-19-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9H2.
What are the key properties of N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 291.73 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20984024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).