N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine

C15H23BrN2O — CID 103274125

IUPACN-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC1(Oc2cncc(Br)c2)CCC1
InChIInChI=1S/C15H23BrN2O/c1-14(2,3)18-8-7-15(5-4-6-15)19-13-9-12(16)10-17-11-13/h9-11,18H,4-8H2,1-3H3
InChIKeyHALWXINMAIJJEN-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.92
Rot. Bonds5

About N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine

N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine (PubChem CID 103274125) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
PubChem CID103274125
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC1(Oc2cncc(Br)c2)CCC1
InChIInChI=1S/C15H23BrN2O/c1-14(2,3)18-8-7-15(5-4-6-15)19-13-9-12(16)10-17-11-13/h9-11,18H,4-8H2,1-3H3
InChIKeyHALWXINMAIJJEN-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103273548
2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273515
2-methyl-N-[2-[1-[(2-methyl-3-pyridinyl)oxy]cyclobutyl]ethyl]propan-2-amine
CID 103274267
N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104810728
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
CID 103273327
1-[(5-bromo-3-pyridinyl)oxy]-3-(tert-butylamino)propan-2-ol
CID 115476145
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 107726464
2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
CID 103274245
N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80722903
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
N-[2-[1-(3-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273876

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine (CID 103274125) is N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCC1(Oc2cncc(Br)c2)CCC1.
What is the InChIKey of N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is HALWXINMAIJJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2,3)18-8-7-15(5-4-6-15)19-13-9-12(16)10-17-11-13/h9-11,18H,4-8H2,1-3H3.
What are the key properties of N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103274125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).