2-(5-bromo-2-methylphenoxy)pentan-1-amine

C12H18BrNO — CID 107286173

IUPAC2-(5-bromo-2-methylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1cc(Br)ccc1C
InChIInChI=1S/C12H18BrNO/c1-3-4-11(8-14)15-12-7-10(13)6-5-9(12)2/h5-7,11H,3-4,8,14H2,1-2H3
InChIKeyUQDXLBWALMDCGU-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.26
Rot. Bonds5

About 2-(5-bromo-2-methylphenoxy)pentan-1-amine

2-(5-bromo-2-methylphenoxy)pentan-1-amine (PubChem CID 107286173) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)pentan-1-amine
PubChem CID107286173
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(5-bromo-2-methylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1cc(Br)ccc1C
InChIInChI=1S/C12H18BrNO/c1-3-4-11(8-14)15-12-7-10(13)6-5-9(12)2/h5-7,11H,3-4,8,14H2,1-2H3
InChIKeyUQDXLBWALMDCGU-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
CID 107283157
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
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)pentan-1-amine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)pentan-1-amine (CID 107286173) is 2-(5-bromo-2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)pentan-1-amine is CCCC(CN)Oc1cc(Br)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)pentan-1-amine?
The InChIKey is UQDXLBWALMDCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-4-11(8-14)15-12-7-10(13)6-5-9(12)2/h5-7,11H,3-4,8,14H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)pentan-1-amine?
2-(5-bromo-2-methylphenoxy)pentan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.26, 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)pentan-1-amine is sourced from PubChem (CID 107286173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).