2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine

C14H22BrNO — CID 107286035

IUPAC2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cc(Br)ccc1C
InChIInChI=1S/C14H22BrNO/c1-5-13(9-16-10(2)3)17-14-8-12(15)7-6-11(14)4/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyHYYORAKFHFMBHQ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.91
Rot. Bonds6

About 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine

2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 107286035) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID107286035
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cc(Br)ccc1C
InChIInChI=1S/C14H22BrNO/c1-5-13(9-16-10(2)3)17-14-8-12(15)7-6-11(14)4/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyHYYORAKFHFMBHQ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.91
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-tert-butylbutan-1-amine
CID 107285816
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
CID 83044360
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
4-bromo-1-methyl-2-(2-methylbutoxy)benzene
CID 107283947

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine (CID 107286035) is 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1cc(Br)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is HYYORAKFHFMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-13(9-16-10(2)3)17-14-8-12(15)7-6-11(14)4/h6-8,10,13,16H,5,9H2,1-4H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine?
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.91, 6 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-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107286035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).