O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride

C10H15BrClNO2 — CID 44523118

IUPACO-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride
SMILESCl.NOCCCCOc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2.ClH/c11-9-3-5-10(6-4-9)13-7-1-2-8-14-12;/h3-6H,1-2,7-8,12H2;1H
InChIKeyWPWDTPAWCAPUHG-UHFFFAOYSA-N
MW296.59 g/mol
LogP2.92
Rot. Bonds6

About O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride

O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride (PubChem CID 44523118) has the molecular formula C10H15BrClNO2 and a molecular weight of 296.59 g/mol. Its IUPAC name is O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride
PubChem CID44523118
Molecular FormulaC10H15BrClNO2
Molecular Weight296.59 g/mol
Exact Mass295.00
IUPAC NameO-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride
SMILESCl.NOCCCCOc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2.ClH/c11-9-3-5-10(6-4-9)13-7-1-2-8-14-12;/h3-6H,1-2,7-8,12H2;1H
InChIKeyWPWDTPAWCAPUHG-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.59
LogP ≤ 52.92
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

4-Bromodiphenyl Ether
CID 7565
4,4'-Dibromodiphenyl ether
CID 16305
4-Bromoanisole
CID 7730
Allyl 2,4,6-tribromophenyl ether
CID 76767
Phenol, 4-bromo-, 1-acetate
CID 74726
4-Bromophenetole
CID 68523
2-Bromophenetole
CID 68500
3-Bromodiphenyl ether
CID 96165
Benzene, (3-bromopropoxy)-
CID 68522
(4-Bromobutoxy)benzene
CID 70986
4'-Bromobenzo-15-crown 5-Ether
CID 2724799
3-(4-Bromophenoxy)-1,2-propanediol
CID 113926

Frequently Asked Questions

What is the IUPAC name of O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride (CID 44523118) is O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride is Cl.NOCCCCOc1ccc(Br)cc1.
What is the InChIKey of O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride?
The InChIKey is WPWDTPAWCAPUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2.ClH/c11-9-3-5-10(6-4-9)13-7-1-2-8-14-12;/h3-6H,1-2,7-8,12H2;1H.
What are the key properties of O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride?
O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride has a molecular weight of 296.59 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(4-bromophenoxy)butyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 44523118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).