2-(3-bromophenoxy)-1-piperidin-4-ylethanamine

C13H19BrN2O — CID 117238821

IUPAC2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
SMILESNC(COc1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C13H19BrN2O/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9,15H2
InChIKeyANVQHPREPPLJRN-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.15
Rot. Bonds4

About 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine

2-(3-bromophenoxy)-1-piperidin-4-ylethanamine (PubChem CID 117238821) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
PubChem CID117238821
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
SMILESNC(COc1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C13H19BrN2O/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9,15H2
InChIKeyANVQHPREPPLJRN-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803
2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
CID 117237369
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-(2-amino-2-piperidin-4-ylethoxy)phenol
CID 117238741
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine?
The IUPAC name of 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine (CID 117238821) is 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine is NC(COc1cccc(Br)c1)C1CCNCC1.
What is the InChIKey of 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine?
The InChIKey is ANVQHPREPPLJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9,15H2.
What are the key properties of 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine?
2-(3-bromophenoxy)-1-piperidin-4-ylethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-piperidin-4-ylethanamine is sourced from PubChem (CID 117238821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).