(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride

C11H14BrCl2NO — CID 171262023

IUPAC(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1Br)[C@@H](O)C1CC1
InChIInChI=1S/C11H13BrClNO.ClH/c12-9-4-3-7(13)5-8(9)10(14)11(15)6-1-2-6;/h3-6,10-11,15H,1-2,14H2;1H/t10-,11+;/m1./s1
InChIKeyHCOXAMVYCOSVRH-DHXVBOOMSA-N
MW327.05 g/mol
LogP3.30
Rot. Bonds3

About (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride

(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride (PubChem CID 171262023) has the molecular formula C11H14BrCl2NO and a molecular weight of 327.05 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
PubChem CID171262023
Molecular FormulaC11H14BrCl2NO
Molecular Weight327.05 g/mol
Exact Mass324.96
IUPAC Name(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1Br)[C@@H](O)C1CC1
InChIInChI=1S/C11H13BrClNO.ClH/c12-9-4-3-7(13)5-8(9)10(14)11(15)6-1-2-6;/h3-6,10-11,15H,1-2,14H2;1H/t10-,11+;/m1./s1
InChIKeyHCOXAMVYCOSVRH-DHXVBOOMSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.05
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262032
(R)-(2-bromo-5-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247641
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride (CID 171262023) is (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride is Cl.N[C@H](c1cc(Cl)ccc1Br)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride?
The InChIKey is HCOXAMVYCOSVRH-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H13BrClNO.ClH/c12-9-4-3-7(13)5-8(9)10(14)11(15)6-1-2-6;/h3-6,10-11,15H,1-2,14H2;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride?
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride has a molecular weight of 327.05 g/mol, XLogP of 3.30, 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-chlorophenyl)-1-cyclopropylethanol;hydrochloride is sourced from PubChem (CID 171262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).