1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

C24H27BrClNO3 — CID 138959362

IUPAC1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCC1C(c2ccc(Br)cc2)OCCN1CC(O)COc1cccc2ccccc12.Cl
InChIInChI=1S/C24H26BrNO3.ClH/c1-17-24(19-9-11-20(25)12-10-19)28-14-13-26(17)15-21(27)16-29-23-8-4-6-18-5-2-3-7-22(18)23;/h2-12,17,21,24,27H,13-16H2,1H3;1H
InChIKeyAJKPUQOMISVEEA-UHFFFAOYSA-N
MW492.84 g/mol
LogP5.23
Rot. Bonds6

About 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (PubChem CID 138959362) has the molecular formula C24H27BrClNO3 and a molecular weight of 492.84 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
PubChem CID138959362
Molecular FormulaC24H27BrClNO3
Molecular Weight492.84 g/mol
Exact Mass491.09
IUPAC Name1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCC1C(c2ccc(Br)cc2)OCCN1CC(O)COc1cccc2ccccc12.Cl
InChIInChI=1S/C24H26BrNO3.ClH/c1-17-24(19-9-11-20(25)12-10-19)28-14-13-26(17)15-21(27)16-29-23-8-4-6-18-5-2-3-7-22(18)23;/h2-12,17,21,24,27H,13-16H2,1H3;1H
InChIKeyAJKPUQOMISVEEA-UHFFFAOYSA-N
XLogP5.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.84
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959357
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844
1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
CID 23884461
(2R)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 40503008
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
(2S)-1-(1H-indol-4-yloxy)-3-[(2S,4R)-2-methyl-4-naphthalen-2-ylpiperidin-1-yl]propan-2-ol
CID 58759993
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (CID 138959362) is 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is CC1C(c2ccc(Br)cc2)OCCN1CC(O)COc1cccc2ccccc12.Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The InChIKey is AJKPUQOMISVEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO3.ClH/c1-17-24(19-9-11-20(25)12-10-19)28-14-13-26(17)15-21(27)16-29-23-8-4-6-18-5-2-3-7-22(18)23;/h2-12,17,21,24,27H,13-16H2,1H3;1H.
What are the key properties of 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride has a molecular weight of 492.84 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 138959362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).