(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride

C14H23BrClNO2 — CID 171262942

IUPAC(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@@H](N)[C@@H](O)C(C)CC.Cl
InChIInChI=1S/C14H22BrNO2.ClH/c1-4-9(3)14(17)13(16)11-8-10(15)6-7-12(11)18-5-2;/h6-9,13-14,17H,4-5,16H2,1-3H3;1H/t9?,13-,14+;/m1./s1
InChIKeyXWLXHEOWIGJFGK-FBIYEEDXSA-N
MW352.70 g/mol
LogP3.68
Rot. Bonds6

About (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride (PubChem CID 171262942) has the molecular formula C14H23BrClNO2 and a molecular weight of 352.70 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
PubChem CID171262942
Molecular FormulaC14H23BrClNO2
Molecular Weight352.70 g/mol
Exact Mass351.06
IUPAC Name(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@@H](N)[C@@H](O)C(C)CC.Cl
InChIInChI=1S/C14H22BrNO2.ClH/c1-4-9(3)14(17)13(16)11-8-10(15)6-7-12(11)18-5-2;/h6-9,13-14,17H,4-5,16H2,1-3H3;1H/t9?,13-,14+;/m1./s1
InChIKeyXWLXHEOWIGJFGK-FBIYEEDXSA-N
XLogP3.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-phenylpropan-2-ol
CID 171262949
(3S)-3-amino-3-(5-bromo-2-ethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241804
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride (CID 171262942) is (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride is CCOc1ccc(Br)cc1[C@@H](N)[C@@H](O)C(C)CC.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride?
The InChIKey is XWLXHEOWIGJFGK-FBIYEEDXSA-N. The full InChI is InChI=1S/C14H22BrNO2.ClH/c1-4-9(3)14(17)13(16)11-8-10(15)6-7-12(11)18-5-2;/h6-9,13-14,17H,4-5,16H2,1-3H3;1H/t9?,13-,14+;/m1./s1.
What are the key properties of (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride has a molecular weight of 352.70 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 171262942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).