N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C18H21NO3 — CID 20991908

IUPACN-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCC(C)c1ccccc1OCCOc1ccccc1C=NO
InChIInChI=1S/C18H21NO3/c1-14(2)16-8-4-6-10-18(16)22-12-11-21-17-9-5-3-7-15(17)13-19-20/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyDWWPYZDSTIOSEB-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.08
Rot. Bonds7

About N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20991908) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID20991908
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCC(C)c1ccccc1OCCOc1ccccc1C=NO
InChIInChI=1S/C18H21NO3/c1-14(2)16-8-4-6-10-18(16)22-12-11-21-17-9-5-3-7-15(17)13-19-20/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyDWWPYZDSTIOSEB-UHFFFAOYSA-N
XLogP4.08
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.08
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
N-[[3-ethoxy-4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984739
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20989546
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
1-octoxy-2-propan-2-ylbenzene
CID 64765685
(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
CID 20711802
2-[2-(hydroxyiminomethyl)phenoxy]acetamide
CID 57365599
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 20991908) is N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is CC(C)c1ccccc1OCCOc1ccccc1C=NO.
What is the InChIKey of N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is DWWPYZDSTIOSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(2)16-8-4-6-10-18(16)22-12-11-21-17-9-5-3-7-15(17)13-19-20/h3-10,13-14,20H,11-12H2,1-2H3.
What are the key properties of N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 299.37 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20991908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).