(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine

C15H23NO3 — CID 82001926

IUPAC(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
SMILESCCCC(C)COc1cc(OC)ccc1/C(C)=N/O
InChIInChI=1S/C15H23NO3/c1-5-6-11(2)10-19-15-9-13(18-4)7-8-14(15)12(3)16-17/h7-9,11,17H,5-6,10H2,1-4H3/b16-12+
InChIKeyPPLBJHPZVIDTNQ-FOWTUZBSSA-N
MW265.35 g/mol
LogP3.71
Rot. Bonds7

About (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 82001926) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
PubChem CID82001926
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
SMILESCCCC(C)COc1cc(OC)ccc1/C(C)=N/O
InChIInChI=1S/C15H23NO3/c1-5-6-11(2)10-19-15-9-13(18-4)7-8-14(15)12(3)16-17/h7-9,11,17H,5-6,10H2,1-4H3/b16-12+
InChIKeyPPLBJHPZVIDTNQ-FOWTUZBSSA-N
XLogP3.71
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82001759
(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
CID 82001380
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
3-[[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]methyl]pentan-3-ol
CID 114494193
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
3-[4-methoxy-2-(2-methylpentoxy)phenyl]prop-2-enoic acid
CID 76937903
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine (CID 82001926) is (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine is CCCC(C)COc1cc(OC)ccc1/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is PPLBJHPZVIDTNQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-11(2)10-19-15-9-13(18-4)7-8-14(15)12(3)16-17/h7-9,11,17H,5-6,10H2,1-4H3/b16-12+.
What are the key properties of (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 265.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82001926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).