(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine

C15H23BrN2O — CID 78937362

IUPAC(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCCN1CCCCC1
InChIInChI=1S/C15H23BrN2O/c1-12(17)14-11-13(16)5-6-15(14)19-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10,17H2,1H3/t12-/m1/s1
InChIKeyFUEJOSCWDHZBCN-GFCCVEGCSA-N
MW327.27 g/mol
LogP3.33
Rot. Bonds5

About (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine

(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 78937362) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
PubChem CID78937362
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCCN1CCCCC1
InChIInChI=1S/C15H23BrN2O/c1-12(17)14-11-13(16)5-6-15(14)19-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10,17H2,1H3/t12-/m1/s1
InChIKeyFUEJOSCWDHZBCN-GFCCVEGCSA-N
XLogP3.33
TPSA38.49 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 78938265
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
5-bromo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22682611
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
(1S)-1-(5-bromo-2-pent-3-ynoxyphenyl)ethanamine
CID 104805228

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine (CID 78937362) is (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine is C[C@@H](N)c1cc(Br)ccc1OCCN1CCCCC1.
What is the InChIKey of (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is FUEJOSCWDHZBCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12(17)14-11-13(16)5-6-15(14)19-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10,17H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 78937362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).