N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine

C15H14ClNO3 — CID 86010105

IUPACN-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1c(Cl)cc(OCc2ccccc2)cc1C=NO
InChIInChI=1S/C15H14ClNO3/c1-19-15-12(9-17-18)7-13(8-14(15)16)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyJHEUESLGAZUHFH-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.74
Rot. Bonds5

About N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine

N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 86010105) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID86010105
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1c(Cl)cc(OCc2ccccc2)cc1C=NO
InChIInChI=1S/C15H14ClNO3/c1-19-15-12(9-17-18)7-13(8-14(15)16)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyJHEUESLGAZUHFH-UHFFFAOYSA-N
XLogP3.74
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.74
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

(NE)-N-[[3-chloro-2-phenylmethoxy-5-tri(propan-2-yl)silyloxyphenyl]methylidene]hydroxylamine
CID 58878865
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
2-[2-[[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenoxy]methyl]phenyl]-3-methoxybut-2-enoic acid
CID 69303441
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 54784589
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42315478

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 86010105) is N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine is COc1c(Cl)cc(OCc2ccccc2)cc1C=NO.
What is the InChIKey of N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is JHEUESLGAZUHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-15-12(9-17-18)7-13(8-14(15)16)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3.
What are the key properties of N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine?
N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 291.73 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 86010105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).