(1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol

C25H32BrNO2 — CID 92720766

IUPAC(1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol
SMILESO[C@](c1ccc(Br)cc1)(C1CCCCC1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C25H32BrNO2/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2/t24-,25-/m0/s1
InChIKeyMKCWNMODGUNHIW-DQEYMECFSA-N
MW458.44 g/mol
LogP5.33
Rot. Bonds6

About (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol

(1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol (PubChem CID 92720766) has the molecular formula C25H32BrNO2 and a molecular weight of 458.44 g/mol. Its IUPAC name is (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol
PubChem CID92720766
Molecular FormulaC25H32BrNO2
Molecular Weight458.44 g/mol
Exact Mass457.16
IUPAC Name(1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol
SMILESO[C@](c1ccc(Br)cc1)(C1CCCCC1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C25H32BrNO2/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2/t24-,25-/m0/s1
InChIKeyMKCWNMODGUNHIW-DQEYMECFSA-N
XLogP5.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 25112706
1-cyclohexyl-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 23604846
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(1R,2R)-1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
CID 1399047
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
(2S,3S)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949467
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949464
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol (CID 92720766) is (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol is O[C@](c1ccc(Br)cc1)(C1CCCCC1)[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol?
The InChIKey is MKCWNMODGUNHIW-DQEYMECFSA-N. The full InChI is InChI=1S/C25H32BrNO2/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2/t24-,25-/m0/s1.
What are the key properties of (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol?
(1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol has a molecular weight of 458.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol is sourced from PubChem (CID 92720766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).