N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C21H19NO3 — CID 20990115

IUPACN-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCCOc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H19NO3/c23-22-16-17-7-6-10-19(15-17)24-13-14-25-21-12-5-4-11-20(21)18-8-2-1-3-9-18/h1-12,15-16,23H,13-14H2
InChIKeyGEWOMWSESUTMFU-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.62
Rot. Bonds7

About N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20990115) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID20990115
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCCOc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H19NO3/c23-22-16-17-7-6-10-19(15-17)24-13-14-25-21-12-5-4-11-20(21)18-8-2-1-3-9-18/h1-12,15-16,23H,13-14H2
InChIKeyGEWOMWSESUTMFU-UHFFFAOYSA-N
XLogP4.62
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.62
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-[[3-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22683329
(NE)-N-[[3-(2-naphthalen-2-yloxyethoxy)phenyl]methylidene]hydroxylamine
CID 42180901
N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984350
(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42203886
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22682067
N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
CID 20984551
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
N-[[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993090
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
1-but-3-enoxy-2-phenylbenzene
CID 154014031

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 20990115) is N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cccc(OCCOc2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is GEWOMWSESUTMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-22-16-17-7-6-10-19(15-17)24-13-14-25-21-12-5-4-11-20(21)18-8-2-1-3-9-18/h1-12,15-16,23H,13-14H2.
What are the key properties of N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 333.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20990115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).