N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine

C14H13BrN2O — CID 625564

IUPACN-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine
SMILESCNc1ccc(Br)cc1C(=NO)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c1-16-13-8-7-11(15)9-12(13)14(17-18)10-5-3-2-4-6-10/h2-9,16,18H,1H3
InChIKeyUQKCESGVEKGUST-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.72
Rot. Bonds3

About N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine

N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 625564) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine
PubChem CID625564
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine
SMILESCNc1ccc(Br)cc1C(=NO)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c1-16-13-8-7-11(15)9-12(13)14(17-18)10-5-3-2-4-6-10/h2-9,16,18H,1H3
InChIKeyUQKCESGVEKGUST-UHFFFAOYSA-N
XLogP3.72
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.72
H-Bond Donors ≤ 52
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

N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
4-chloro-2-[N-(2-chloroethyl)-C-phenylcarbonimidoyl]-N-methylaniline
CID 154269566
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]acetamide
CID 6163012
4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
CID 625740
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide
CID 6522385
(Z)-2-[5-bromo-2-(methylamino)phenyl]but-2-enal;ethane
CID 143263053
5-bromo-N-methyl-2-phenylaniline
CID 69363671
4-bromo-2-(C,N-diphenylcarbonimidoyl)aniline
CID 3577590

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine (CID 625564) is N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine is CNc1ccc(Br)cc1C(=NO)c1ccccc1.
What is the InChIKey of N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is UQKCESGVEKGUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-16-13-8-7-11(15)9-12(13)14(17-18)10-5-3-2-4-6-10/h2-9,16,18H,1H3.
What are the key properties of N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine?
N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 305.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 625564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).