(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride

C15H23BrClNO3 — CID 171267436

IUPAC(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride
SMILESCOc1cc([C@H](N)[C@H](O)C2CCCC2)cc(OC)c1Br.Cl
InChIInChI=1S/C15H22BrNO3.ClH/c1-19-11-7-10(8-12(20-2)13(11)16)14(17)15(18)9-5-3-4-6-9;/h7-9,14-15,18H,3-6,17H2,1-2H3;1H/t14-,15+;/m0./s1
InChIKeyCFNUGVNUUWZIRH-LDXVYITESA-N
MW380.71 g/mol
LogP3.44
Rot. Bonds5

About (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride

(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride (PubChem CID 171267436) has the molecular formula C15H23BrClNO3 and a molecular weight of 380.71 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride
PubChem CID171267436
Molecular FormulaC15H23BrClNO3
Molecular Weight380.71 g/mol
Exact Mass379.05
IUPAC Name(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride
SMILESCOc1cc([C@H](N)[C@H](O)C2CCCC2)cc(OC)c1Br.Cl
InChIInChI=1S/C15H22BrNO3.ClH/c1-19-11-7-10(8-12(20-2)13(11)16)14(17)15(18)9-5-3-4-6-9;/h7-9,14-15,18H,3-6,17H2,1-2H3;1H/t14-,15+;/m0./s1
InChIKeyCFNUGVNUUWZIRH-LDXVYITESA-N
XLogP3.44
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.71
LogP ≤ 53.44
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-cyclohexylethanol
CID 171267437
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2,6-dimethoxyphenol
CID 171162312
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
(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-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739
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

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride (CID 171267436) is (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride is COc1cc([C@H](N)[C@H](O)C2CCCC2)cc(OC)c1Br.Cl.
What is the InChIKey of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride?
The InChIKey is CFNUGVNUUWZIRH-LDXVYITESA-N. The full InChI is InChI=1S/C15H22BrNO3.ClH/c1-19-11-7-10(8-12(20-2)13(11)16)14(17)15(18)9-5-3-4-6-9;/h7-9,14-15,18H,3-6,17H2,1-2H3;1H/t14-,15+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride?
(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride has a molecular weight of 380.71 g/mol, XLogP of 3.44, 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-cyclopentylethanol;hydrochloride is sourced from PubChem (CID 171267436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).