N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine

C16H15ClFNO2 — CID 76999636

IUPACN-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-16(19-20)11-6-8-12(9-7-11)21-10-13-14(17)4-3-5-15(13)18/h3-9,20H,2,10H2,1H3
InChIKeyIVSMMFJQPUXTFN-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.65
Rot. Bonds5

About N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine

N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine (PubChem CID 76999636) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
PubChem CID76999636
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-16(19-20)11-6-8-12(9-7-11)21-10-13-14(17)4-3-5-15(13)18/h3-9,20H,2,10H2,1H3
InChIKeyIVSMMFJQPUXTFN-UHFFFAOYSA-N
XLogP4.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.65
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-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 82916047
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
CID 170874554
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 61496372

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine (CID 76999636) is N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine is CCC(=NO)c1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is IVSMMFJQPUXTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-16(19-20)11-6-8-12(9-7-11)21-10-13-14(17)4-3-5-15(13)18/h3-9,20H,2,10H2,1H3.
What are the key properties of N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 307.75 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 76999636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).