1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride

C17H20BrCl2NO2 — CID 138960458

IUPAC1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccc(Br)cc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H19BrClNO2.ClH/c1-12(13-3-2-4-15(19)9-13)20-10-16(21)11-22-17-7-5-14(18)6-8-17;/h2-9,12,16,20-21H,10-11H2,1H3;1H
InChIKeyQRYACRHJZVSKRQ-UHFFFAOYSA-N
MW421.16 g/mol
LogP4.61
Rot. Bonds7

About 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride

1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride (PubChem CID 138960458) has the molecular formula C17H20BrCl2NO2 and a molecular weight of 421.16 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
PubChem CID138960458
Molecular FormulaC17H20BrCl2NO2
Molecular Weight421.16 g/mol
Exact Mass419.01
IUPAC Name1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccc(Br)cc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H19BrClNO2.ClH/c1-12(13-3-2-4-15(19)9-13)20-10-16(21)11-22-17-7-5-14(18)6-8-17;/h2-9,12,16,20-21H,10-11H2,1H3;1H
InChIKeyQRYACRHJZVSKRQ-UHFFFAOYSA-N
XLogP4.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.16
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
CID 63491866
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 60632771
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride (CID 138960458) is 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride is CC(NCC(O)COc1ccc(Br)cc1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride?
The InChIKey is QRYACRHJZVSKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO2.ClH/c1-12(13-3-2-4-15(19)9-13)20-10-16(21)11-22-17-7-5-14(18)6-8-17;/h2-9,12,16,20-21H,10-11H2,1H3;1H.
What are the key properties of 1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride?
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride has a molecular weight of 421.16 g/mol, XLogP of 4.61, 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-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 138960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).