N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine

C16H16BrNO3 — CID 76999633

IUPACN-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cccc(OCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO3/c1-12(18-19)13-3-2-4-16(11-13)21-10-9-20-15-7-5-14(17)6-8-15/h2-8,11,19H,9-10H2,1H3
InChIKeyQGYIQJIWNVKTNX-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.11
Rot. Bonds6

About N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine

N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 76999633) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
PubChem CID76999633
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cccc(OCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO3/c1-12(18-19)13-3-2-4-16(11-13)21-10-9-20-15-7-5-14(17)6-8-15/h2-8,11,19H,9-10H2,1H3
InChIKeyQGYIQJIWNVKTNX-UHFFFAOYSA-N
XLogP4.11
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.11
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'}

Analyze N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457228
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
N-[1-(3-decoxyphenyl)ethylidene]hydroxylamine
CID 76999592
4-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]butanenitrile
CID 24704400
N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 77069669
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
N-[[4-[2-(3-bromophenoxy)ethoxy]phenyl]-(4-methylphenyl)methylidene]hydroxylamine
CID 2311182
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine (CID 76999633) is N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine is CC(=NO)c1cccc(OCCOc2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is QGYIQJIWNVKTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-12(18-19)13-3-2-4-16(11-13)21-10-9-20-15-7-5-14(17)6-8-15/h2-8,11,19H,9-10H2,1H3.
What are the key properties of N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 350.21 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 76999633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).