2-(3-bromophenoxy)-1-cyclobutylethanamine

C12H16BrNO — CID 117245578

IUPAC2-(3-bromophenoxy)-1-cyclobutylethanamine
SMILESNC(COc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C12H16BrNO/c13-10-5-2-6-11(7-10)15-8-12(14)9-3-1-4-9/h2,5-7,9,12H,1,3-4,8,14H2
InChIKeyITAKMWICRZHMEO-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-bromophenoxy)-1-cyclobutylethanamine

2-(3-bromophenoxy)-1-cyclobutylethanamine (PubChem CID 117245578) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-cyclobutylethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-cyclobutylethanamine
PubChem CID117245578
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(3-bromophenoxy)-1-cyclobutylethanamine
SMILESNC(COc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C12H16BrNO/c13-10-5-2-6-11(7-10)15-8-12(14)9-3-1-4-9/h2,5-7,9,12H,1,3-4,8,14H2
InChIKeyITAKMWICRZHMEO-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803
2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
CID 117238821
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
CID 117242682

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-cyclobutylethanamine?
The IUPAC name of 2-(3-bromophenoxy)-1-cyclobutylethanamine (CID 117245578) is 2-(3-bromophenoxy)-1-cyclobutylethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-1-cyclobutylethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-1-cyclobutylethanamine is NC(COc1cccc(Br)c1)C1CCC1.
What is the InChIKey of 2-(3-bromophenoxy)-1-cyclobutylethanamine?
The InChIKey is ITAKMWICRZHMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-5-2-6-11(7-10)15-8-12(14)9-3-1-4-9/h2,5-7,9,12H,1,3-4,8,14H2.
What are the key properties of 2-(3-bromophenoxy)-1-cyclobutylethanamine?
2-(3-bromophenoxy)-1-cyclobutylethanamine has a molecular weight of 270.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-cyclobutylethanamine is sourced from PubChem (CID 117245578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).