3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine

C22H22BrNO — CID 141002996

IUPAC3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine
SMILESNCCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H22BrNO/c23-19-11-12-22(25-16-17-7-3-1-4-8-17)21(15-19)20(13-14-24)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16,24H2
InChIKeyITPYUNXLVSFSJJ-UHFFFAOYSA-N
MW396.33 g/mol
LogP5.51
Rot. Bonds7

About 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine

3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine (PubChem CID 141002996) has the molecular formula C22H22BrNO and a molecular weight of 396.33 g/mol. Its IUPAC name is 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine
PubChem CID141002996
Molecular FormulaC22H22BrNO
Molecular Weight396.33 g/mol
Exact Mass395.09
IUPAC Name3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine
SMILESNCCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H22BrNO/c23-19-11-12-22(25-16-17-7-3-1-4-8-17)21(15-19)20(13-14-24)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16,24H2
InChIKeyITPYUNXLVSFSJJ-UHFFFAOYSA-N
XLogP5.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanal
CID 18357288
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 70277293
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1R)-1-[5-bromo-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939496
3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
CID 11290507
(3R)-3-(5-ethyl-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 142644338
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 15434420
2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyacetonitrile;methyl 2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyacetate
CID 161338624
methyl 3,6-bis(5-bromo-2-phenylmethoxyphenyl)-4-hydroxy-3,6-diphenylhexanoate
CID 67818088

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine (CID 141002996) is 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine is NCCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine?
The InChIKey is ITPYUNXLVSFSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO/c23-19-11-12-22(25-16-17-7-3-1-4-8-17)21(15-19)20(13-14-24)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16,24H2.
What are the key properties of 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine?
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine has a molecular weight of 396.33 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 141002996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).