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

C15H23NO3 — CID 61484376

IUPACN-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCCOCCC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)8-9-18-10-11-19-15-6-4-14(5-7-15)13(3)16-17/h4-7,12,17H,8-11H2,1-3H3
InChIKeyVTPSMXAURLNDTJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.33
Rot. Bonds8

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

N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 61484376) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
PubChem CID61484376
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCCOCCC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)8-9-18-10-11-19-15-6-4-14(5-7-15)13(3)16-17/h4-7,12,17H,8-11H2,1-3H3
InChIKeyVTPSMXAURLNDTJ-UHFFFAOYSA-N
XLogP3.33
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.33
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-[4-[2-(3-methylbutoxy)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-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
CID 77073927
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine (CID 61484376) is N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(OCCOCCC(C)C)cc1.
What is the InChIKey of N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is VTPSMXAURLNDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)8-9-18-10-11-19-15-6-4-14(5-7-15)13(3)16-17/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 265.35 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 61484376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).