2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine

C15H24BrNO — CID 107285816

IUPAC2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1cc(Br)ccc1C
InChIInChI=1S/C15H24BrNO/c1-6-13(10-17-15(3,4)5)18-14-9-12(16)8-7-11(14)2/h7-9,13,17H,6,10H2,1-5H3
InChIKeySQEBQCGYSIWTQM-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.30
Rot. Bonds5

About 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine

2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine (PubChem CID 107285816) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
PubChem CID107285816
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1cc(Br)ccc1C
InChIInChI=1S/C15H24BrNO/c1-6-13(10-17-15(3,4)5)18-14-9-12(16)8-7-11(14)2/h7-9,13,17H,6,10H2,1-5H3
InChIKeySQEBQCGYSIWTQM-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine
CID 62451264
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine (CID 107285816) is 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine is CCC(CNC(C)(C)C)Oc1cc(Br)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine?
The InChIKey is SQEBQCGYSIWTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-6-13(10-17-15(3,4)5)18-14-9-12(16)8-7-11(14)2/h7-9,13,17H,6,10H2,1-5H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine?
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine is sourced from PubChem (CID 107285816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).