5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine

C13H19BrClNO — CID 65255968

IUPAC5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-13(2,9-16)6-3-7-17-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyOXGMLUMDSAREQH-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.25
Rot. Bonds6

About 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine

5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine (PubChem CID 65255968) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
PubChem CID65255968
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-13(2,9-16)6-3-7-17-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyOXGMLUMDSAREQH-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-4-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255804
5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255805
5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
CID 65255914
2-(4-bromo-2-chlorophenoxy)ethyl-tert-butylazanium
CID 2299633
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene
CID 126752545
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
4-(4-bromo-2-chlorophenoxy)butanenitrile
CID 43082909
3-(4-bromo-2-chlorophenoxy)propyl-butylazanium
CID 2297484
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine (CID 65255968) is 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCOc1ccc(Br)cc1Cl.
What is the InChIKey of 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine?
The InChIKey is OXGMLUMDSAREQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-13(2,9-16)6-3-7-17-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3.
What are the key properties of 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine?
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine has a molecular weight of 320.66 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65255968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).