(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol

C16H24BrNO3 — CID 171267437

IUPAC(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol
SMILESCOc1cc([C@H](N)[C@H](O)C2CCCCC2)cc(OC)c1Br
InChIInChI=1S/C16H24BrNO3/c1-20-12-8-11(9-13(21-2)14(12)17)15(18)16(19)10-6-4-3-5-7-10/h8-10,15-16,19H,3-7,18H2,1-2H3/t15-,16+/m0/s1
InChIKeyAAIPYCQFVDESTC-JKSUJKDBSA-N
MW358.28 g/mol
LogP3.41
Rot. Bonds5

About (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol

(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol (PubChem CID 171267437) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol
PubChem CID171267437
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol
SMILESCOc1cc([C@H](N)[C@H](O)C2CCCCC2)cc(OC)c1Br
InChIInChI=1S/C16H24BrNO3/c1-20-12-8-11(9-13(21-2)14(12)17)15(18)16(19)10-6-4-3-5-7-10/h8-10,15-16,19H,3-7,18H2,1-2H3/t15-,16+/m0/s1
InChIKeyAAIPYCQFVDESTC-JKSUJKDBSA-N
XLogP3.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride
CID 171267436
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2,6-dimethoxyphenol
CID 171162312
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171264826
4-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2,3-dibromo-6-methoxyphenol
CID 171265815
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1R,2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171266633
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171264824
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
CID 171267777

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol (CID 171267437) is (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol is COc1cc([C@H](N)[C@H](O)C2CCCCC2)cc(OC)c1Br.
What is the InChIKey of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol?
The InChIKey is AAIPYCQFVDESTC-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-20-12-8-11(9-13(21-2)14(12)17)15(18)16(19)10-6-4-3-5-7-10/h8-10,15-16,19H,3-7,18H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol?
(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol has a molecular weight of 358.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171267437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).