1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

C17H21BrClNO2 — CID 2928091

IUPAC1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccc(Br)cc1)c1ccccc1.Cl
InChIInChI=1S/C17H20BrNO2.ClH/c1-13(14-5-3-2-4-6-14)19-11-16(20)12-21-17-9-7-15(18)8-10-17;/h2-10,13,16,19-20H,11-12H2,1H3;1H
InChIKeyWYCQYQGSPDKQDQ-UHFFFAOYSA-N
MW386.72 g/mol
LogP3.96
Rot. Bonds7

About 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (PubChem CID 2928091) has the molecular formula C17H21BrClNO2 and a molecular weight of 386.72 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
PubChem CID2928091
Molecular FormulaC17H21BrClNO2
Molecular Weight386.72 g/mol
Exact Mass385.04
IUPAC Name1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccc(Br)cc1)c1ccccc1.Cl
InChIInChI=1S/C17H20BrNO2.ClH/c1-13(14-5-3-2-4-6-14)19-11-16(20)12-21-17-9-7-15(18)8-10-17;/h2-10,13,16,19-20H,11-12H2,1H3;1H
InChIKeyWYCQYQGSPDKQDQ-UHFFFAOYSA-N
XLogP3.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (CID 2928091) is 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is CC(NCC(O)COc1ccc(Br)cc1)c1ccccc1.Cl.
What is the InChIKey of 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The InChIKey is WYCQYQGSPDKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2.ClH/c1-13(14-5-3-2-4-6-14)19-11-16(20)12-21-17-9-7-15(18)8-10-17;/h2-10,13,16,19-20H,11-12H2,1H3;1H.
What are the key properties of 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride has a molecular weight of 386.72 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2928091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).