(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine

C15H14BrNO2 — CID 91681880

IUPAC(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccccc1COc1ccc(/C=N\O)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-11-4-2-3-5-13(11)10-19-15-7-6-12(9-17-18)8-14(15)16/h2-9,18H,10H2,1H3/b17-9-
InChIKeyHNWDPOPIFVNXIJ-MFOYZWKCSA-N
MW320.19 g/mol
LogP4.14
Rot. Bonds4

About (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine

(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 91681880) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID91681880
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccccc1COc1ccc(/C=N\O)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-11-4-2-3-5-13(11)10-19-15-7-6-12(9-17-18)8-14(15)16/h2-9,18H,10H2,1H3/b17-9-
InChIKeyHNWDPOPIFVNXIJ-MFOYZWKCSA-N
XLogP4.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681827
(NZ)-N-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6242891
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
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-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
CID 86694674
N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19208463
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126371203

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 91681880) is (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is Cc1ccccc1COc1ccc(/C=N\O)cc1Br.
What is the InChIKey of (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is HNWDPOPIFVNXIJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11-4-2-3-5-13(11)10-19-15-7-6-12(9-17-18)8-14(15)16/h2-9,18H,10H2,1H3/b17-9-.
What are the key properties of (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 320.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 91681880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).