N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C17H19NO3 — CID 22682067

IUPACN-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCc1cc(C)cc(OCCOc2cccc(C=NO)c2)c1
InChIInChI=1S/C17H19NO3/c1-13-8-14(2)10-17(9-13)21-7-6-20-16-5-3-4-15(11-16)12-18-19/h3-5,8-12,19H,6-7H2,1-2H3
InChIKeyHLVLPIBJXLBJAQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.57
Rot. Bonds6

About N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22682067) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22682067
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCc1cc(C)cc(OCCOc2cccc(C=NO)c2)c1
InChIInChI=1S/C17H19NO3/c1-13-8-14(2)10-17(9-13)21-7-6-20-16-5-3-4-15(11-16)12-18-19/h3-5,8-12,19H,6-7H2,1-2H3
InChIKeyHLVLPIBJXLBJAQ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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

(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42203886
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
(NE)-N-[[3-(2-naphthalen-2-yloxyethoxy)phenyl]methylidene]hydroxylamine
CID 42180901
N-[[3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680573
N-[[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993090
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
CID 20984551
N-[[3-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22683329
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
2-cyano-3-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20984275
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22682067) is N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is Cc1cc(C)cc(OCCOc2cccc(C=NO)c2)c1.
What is the InChIKey of N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is HLVLPIBJXLBJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-8-14(2)10-17(9-13)21-7-6-20-16-5-3-4-15(11-16)12-18-19/h3-5,8-12,19H,6-7H2,1-2H3.
What are the key properties of N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 285.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22682067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).