N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine

C17H19NO3 — CID 77069669

IUPACN-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(CCOc2cccc(C(C)=NO)c2)cc1
InChIInChI=1S/C17H19NO3/c1-13(18-19)15-4-3-5-17(12-15)21-11-10-14-6-8-16(20-2)9-7-14/h3-9,12,19H,10-11H2,1-2H3
InChIKeyCYNGCCAOERFMCP-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.51
Rot. Bonds6

About N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine

N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 77069669) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine
PubChem CID77069669
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(CCOc2cccc(C(C)=NO)c2)cc1
InChIInChI=1S/C17H19NO3/c1-13(18-19)15-4-3-5-17(12-15)21-11-10-14-6-8-16(20-2)9-7-14/h3-9,12,19H,10-11H2,1-2H3
InChIKeyCYNGCCAOERFMCP-UHFFFAOYSA-N
XLogP3.51
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.51
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

N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 76999633
(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457228
N-[1-(3-decoxyphenyl)ethylidene]hydroxylamine
CID 76999592
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
4-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]butanenitrile
CID 24704400
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine (CID 77069669) is N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine is COc1ccc(CCOc2cccc(C(C)=NO)c2)cc1.
What is the InChIKey of N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is CYNGCCAOERFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(18-19)15-4-3-5-17(12-15)21-11-10-14-6-8-16(20-2)9-7-14/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 285.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77069669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).