1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol

C21H32BrNO2 — CID 2916524

IUPAC1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
SMILESOC(COc1ccccc1Br)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H32BrNO2/c22-20-13-7-8-14-21(20)25-16-19(24)15-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-19,24H,1-6,9-12,15-16H2
InChIKeyHOQDVCBJSMMTBK-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.16
Rot. Bonds7

About 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol

1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol (PubChem CID 2916524) has the molecular formula C21H32BrNO2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
PubChem CID2916524
Molecular FormulaC21H32BrNO2
Molecular Weight410.40 g/mol
Exact Mass409.16
IUPAC Name1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
SMILESOC(COc1ccccc1Br)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H32BrNO2/c22-20-13-7-8-14-21(20)25-16-19(24)15-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-19,24H,1-6,9-12,15-16H2
InChIKeyHOQDVCBJSMMTBK-UHFFFAOYSA-N
XLogP5.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
CID 53314392
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol (CID 2916524) is 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol is OC(COc1ccccc1Br)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol?
The InChIKey is HOQDVCBJSMMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BrNO2/c22-20-13-7-8-14-21(20)25-16-19(24)15-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-19,24H,1-6,9-12,15-16H2.
What are the key properties of 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol?
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol has a molecular weight of 410.40 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol is sourced from PubChem (CID 2916524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).