(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol

C15H22BrNO2 — CID 804670

IUPAC(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
SMILESO[C@H](CNC1CCCCC1)COc1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c16-14-8-4-5-9-15(14)19-11-13(18)10-17-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/t13-/m1/s1
InChIKeySPWCMRXATBXDBE-CYBMUJFWSA-N
MW328.25 g/mol
LogP3.11
Rot. Bonds6

About (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol

(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol (PubChem CID 804670) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
PubChem CID804670
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
SMILESO[C@H](CNC1CCCCC1)COc1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c16-14-8-4-5-9-15(14)19-11-13(18)10-17-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/t13-/m1/s1
InChIKeySPWCMRXATBXDBE-CYBMUJFWSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 1266890
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 2969198
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol (CID 804670) is (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol is O[C@H](CNC1CCCCC1)COc1ccccc1Br.
What is the InChIKey of (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol?
The InChIKey is SPWCMRXATBXDBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22BrNO2/c16-14-8-4-5-9-15(14)19-11-13(18)10-17-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/t13-/m1/s1.
What are the key properties of (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol?
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol has a molecular weight of 328.25 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 804670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).