5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine

C14H21BrFNO — CID 20662462

IUPAC5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine
SMILESCNC(C)(C)CCCOCc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-14(2,17-3)7-4-8-18-10-11-9-12(15)5-6-13(11)16/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyUDYHBSXPMVHWCC-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.88
Rot. Bonds7

About 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine

5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine (PubChem CID 20662462) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine
PubChem CID20662462
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine
SMILESCNC(C)(C)CCCOCc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-14(2,17-3)7-4-8-18-10-11-9-12(15)5-6-13(11)16/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyUDYHBSXPMVHWCC-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine (CID 20662462) is 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine is CNC(C)(C)CCCOCc1cc(Br)ccc1F.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine?
The InChIKey is UDYHBSXPMVHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-14(2,17-3)7-4-8-18-10-11-9-12(15)5-6-13(11)16/h5-6,9,17H,4,7-8,10H2,1-3H3.
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine?
5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine has a molecular weight of 318.23 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine is sourced from PubChem (CID 20662462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).