O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride

C9H12Cl3NO — CID 163543876

IUPACO-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
SMILESCl.NOCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO.ClH/c10-8-4-3-7(6-9(8)11)2-1-5-13-12;/h3-4,6H,1-2,5,12H2;1H
InChIKeyFDJCLBVVNQEPSG-UHFFFAOYSA-N
MW256.56 g/mol
LogP3.24
Rot. Bonds4

About O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride

O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride (PubChem CID 163543876) has the molecular formula C9H12Cl3NO and a molecular weight of 256.56 g/mol. Its IUPAC name is O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
PubChem CID163543876
Molecular FormulaC9H12Cl3NO
Molecular Weight256.56 g/mol
Exact Mass255.00
IUPAC NameO-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
SMILESCl.NOCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO.ClH/c10-8-4-3-7(6-9(8)11)2-1-5-13-12;/h3-4,6H,1-2,5,12H2;1H
InChIKeyFDJCLBVVNQEPSG-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
4-(3,4-dichlorophenyl)butanamide
CID 47319689
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
CID 89246462
2-amino-2-[2-[4-[3-(3,4-dichlorophenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 86761514
4-butyl-1-[3-(3,4-dichlorophenyl)propoxy]-2-(trifluoromethyl)benzene
CID 66596590
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
CID 117354257

Frequently Asked Questions

What is the IUPAC name of O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride (CID 163543876) is O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride is Cl.NOCCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride?
The InChIKey is FDJCLBVVNQEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO.ClH/c10-8-4-3-7(6-9(8)11)2-1-5-13-12;/h3-4,6H,1-2,5,12H2;1H.
What are the key properties of O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride?
O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride has a molecular weight of 256.56 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 163543876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).