(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride

C15H20BrClF3NO — CID 171263151

IUPAC(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H19BrF3NO.ClH/c16-12-7-6-10(15(17,18)19)8-11(12)13(20)14(21)9-4-2-1-3-5-9;/h6-9,13-14,21H,1-5,20H2;1H/t13-,14+;/m1./s1
InChIKeyIIMYNACVWZPQBX-DFQHDRSWSA-N
MW402.68 g/mol
LogP4.83
Rot. Bonds3

About (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride

(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride (PubChem CID 171263151) has the molecular formula C15H20BrClF3NO and a molecular weight of 402.68 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
PubChem CID171263151
Molecular FormulaC15H20BrClF3NO
Molecular Weight402.68 g/mol
Exact Mass401.04
IUPAC Name(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
SMILESCl.N[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H19BrF3NO.ClH/c16-12-7-6-10(15(17,18)19)8-11(12)13(20)14(21)9-4-2-1-3-5-9;/h6-9,13-14,21H,1-5,20H2;1H/t13-,14+;/m1./s1
InChIKeyIIMYNACVWZPQBX-DFQHDRSWSA-N
XLogP4.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;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

(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
(1R,2S)-1-amino-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 171263154

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride (CID 171263151) is (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride is Cl.N[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
The InChIKey is IIMYNACVWZPQBX-DFQHDRSWSA-N. The full InChI is InChI=1S/C15H19BrF3NO.ClH/c16-12-7-6-10(15(17,18)19)8-11(12)13(20)14(21)9-4-2-1-3-5-9;/h6-9,13-14,21H,1-5,20H2;1H/t13-,14+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride has a molecular weight of 402.68 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride is sourced from PubChem (CID 171263151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).