[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine

C11H14BrNO — CID 116930588

IUPAC[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine
SMILESNCC1(Cc2ccccc2Br)COC1
InChIInChI=1S/C11H14BrNO/c12-10-4-2-1-3-9(10)5-11(6-13)7-14-8-11/h1-4H,5-8,13H2
InChIKeyLACIPDYYKHEVFB-UHFFFAOYSA-N
MW256.14 g/mol
LogP1.97
Rot. Bonds3

About [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine

[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine (PubChem CID 116930588) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine
PubChem CID116930588
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine
SMILESNCC1(Cc2ccccc2Br)COC1
InChIInChI=1S/C11H14BrNO/c12-10-4-2-1-3-9(10)5-11(6-13)7-14-8-11/h1-4H,5-8,13H2
InChIKeyLACIPDYYKHEVFB-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-bromophenyl)ethanamine
CID 115249596
3-[(2-bromophenyl)methyl]-3-(chloromethyl)oxane
CID 66033462
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
CID 115244360
2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
CID 105458102
[3-[(4-methylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930448
[4-[(2-bromo-5-methoxyphenyl)methyl]oxan-4-yl]methanamine
CID 65326731
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
CID 116930487
[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930532
6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
CID 79330967
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine (CID 116930588) is [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine is NCC1(Cc2ccccc2Br)COC1.
What is the InChIKey of [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine?
The InChIKey is LACIPDYYKHEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-4-2-1-3-9(10)5-11(6-13)7-14-8-11/h1-4H,5-8,13H2.
What are the key properties of [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine?
[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine has a molecular weight of 256.14 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116930588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).