N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine

C8H9Cl2NO — CID 16740749

IUPACN-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5(11-12)7-3-2-6(9)4-8(7)10/h2-5,11-12H,1H3
InChIKeyCYCFRBYGPJCYLT-UHFFFAOYSA-N
MW206.07 g/mol
LogP3.03
Rot. Bonds2

About N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine

N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine (PubChem CID 16740749) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
PubChem CID16740749
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5(11-12)7-3-2-6(9)4-8(7)10/h2-5,11-12H,1H3
InChIKeyCYCFRBYGPJCYLT-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine (CID 16740749) is N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine is CC(NO)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine?
The InChIKey is CYCFRBYGPJCYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-5(11-12)7-3-2-6(9)4-8(7)10/h2-5,11-12H,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine?
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine has a molecular weight of 206.07 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 16740749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).