(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C16H17NO3 — CID 42203886

IUPAC(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccc(OCCOc2cccc(/C=N/O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-13-5-7-15(8-6-13)19-9-10-20-16-4-2-3-14(11-16)12-17-18/h2-8,11-12,18H,9-10H2,1H3/b17-12+
InChIKeyHICJNVSDUUSZMO-SFQUDFHCSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds6

About (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 42203886) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID42203886
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccc(OCCOc2cccc(/C=N/O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-13-5-7-15(8-6-13)19-9-10-20-16-4-2-3-14(11-16)12-17-18/h2-8,11-12,18H,9-10H2,1H3/b17-12+
InChIKeyHICJNVSDUUSZMO-SFQUDFHCSA-N
XLogP3.26
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
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-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22682067
(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-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
CID 20984551
N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 5154749
N-[[3-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22683329
N-[[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993090
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 42203886) is (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is Cc1ccc(OCCOc2cccc(/C=N/O)c2)cc1.
What is the InChIKey of (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is HICJNVSDUUSZMO-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO3/c1-13-5-7-15(8-6-13)19-9-10-20-16-4-2-3-14(11-16)12-17-18/h2-8,11-12,18H,9-10H2,1H3/b17-12+.
What are the key properties of (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42203886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).