O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine

C15H16ClNO2 — CID 70328093

IUPACO-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
SMILESNOCCCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClNO2/c16-13-6-8-14(9-7-13)19-15-5-1-3-12(11-15)4-2-10-18-17/h1,3,5-9,11H,2,4,10,17H2
InChIKeyRLCGPSIVLHRPNT-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.96
Rot. Bonds6

About O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine

O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine (PubChem CID 70328093) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
PubChem CID70328093
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameO-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
SMILESNOCCCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClNO2/c16-13-6-8-14(9-7-13)19-15-5-1-3-12(11-15)4-2-10-18-17/h1,3,5-9,11H,2,4,10,17H2
InChIKeyRLCGPSIVLHRPNT-UHFFFAOYSA-N
XLogP3.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane
CID 91091253
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
CID 91935111
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
dipotassium;N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
CID 58062257
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-chloro-4-[3-methyl-6-[3-(4-methylphenoxy)phenyl]hexan-3-yl]benzene
CID 21269895

Frequently Asked Questions

What is the IUPAC name of O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine?
The IUPAC name of O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine (CID 70328093) is O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine.
What is the SMILES notation for O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine?
The canonical SMILES for O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine is NOCCCc1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine?
The InChIKey is RLCGPSIVLHRPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-6-8-14(9-7-13)19-15-5-1-3-12(11-15)4-2-10-18-17/h1,3,5-9,11H,2,4,10,17H2.
What are the key properties of O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine?
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine has a molecular weight of 277.75 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine is sourced from PubChem (CID 70328093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).