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

C15H14BrNO3 — CID 42232312

IUPAC(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cccc(OCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO3/c16-13-4-6-14(7-5-13)19-8-9-20-15-3-1-2-12(10-15)11-17-18/h1-7,10-11,18H,8-9H2/b17-11+
InChIKeyAANGSBGRMGDAFM-GZTJUZNOSA-N
MW336.19 g/mol
LogP3.71
Rot. Bonds6

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

(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 42232312) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID42232312
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cccc(OCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO3/c16-13-4-6-14(7-5-13)19-8-9-20-15-3-1-2-12(10-15)11-17-18/h1-7,10-11,18H,8-9H2/b17-11+
InChIKeyAANGSBGRMGDAFM-GZTJUZNOSA-N
XLogP3.71
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.71
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-naphthalen-2-yloxyethoxy)phenyl]methylidene]hydroxylamine
CID 42180901
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-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
N-[[3-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22683329
N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 76999633
N-[[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993090
3-[(E)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5349220
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 42232312) is (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1cccc(OCCOc2ccc(Br)cc2)c1.
What is the InChIKey of (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is AANGSBGRMGDAFM-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-13-4-6-14(7-5-13)19-8-9-20-15-3-1-2-12(10-15)11-17-18/h1-7,10-11,18H,8-9H2/b17-11+.
What are the key properties of (NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 336.19 g/mol, XLogP of 3.71, 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-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42232312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).