1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine

C15H19BrFNO — CID 116874974

IUPAC1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1(C2(c3cc(Br)ccc3F)COC2)CCC1
InChIInChI=1S/C15H19BrFNO/c1-18-8-14(5-2-6-14)15(9-19-10-15)12-7-11(16)3-4-13(12)17/h3-4,7,18H,2,5-6,8-10H2,1H3
InChIKeyKQHXIYJBMYACDE-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.25
Rot. Bonds4

About 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine

1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine (PubChem CID 116874974) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
PubChem CID116874974
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1(C2(c3cc(Br)ccc3F)COC2)CCC1
InChIInChI=1S/C15H19BrFNO/c1-18-8-14(5-2-6-14)15(9-19-10-15)12-7-11(16)3-4-13(12)17/h3-4,7,18H,2,5-6,8-10H2,1H3
InChIKeyKQHXIYJBMYACDE-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine
CID 116874854
[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
CID 116875023
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
3-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]butan-1-amine
CID 116870231
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
[3-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875156
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
N-[3-(5-bromo-2-fluorophenyl)oxan-3-yl]-2,2,2-trifluoroacetamide
CID 145089084

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine (CID 116874974) is 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine is CNCC1(C2(c3cc(Br)ccc3F)COC2)CCC1.
What is the InChIKey of 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine?
The InChIKey is KQHXIYJBMYACDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-18-8-14(5-2-6-14)15(9-19-10-15)12-7-11(16)3-4-13(12)17/h3-4,7,18H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine?
1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine has a molecular weight of 328.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116874974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).