(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride

C9H12BrClFN — CID 171221659

IUPAC(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
SMILESCc1ccc([C@@H](N)CF)c(Br)c1.Cl
InChIInChI=1S/C9H11BrFN.ClH/c1-6-2-3-7(8(10)4-6)9(12)5-11;/h2-4,9H,5,12H2,1H3;1H/t9-;/m0./s1
InChIKeyJCKCJPSMYWTIQL-FVGYRXGTSA-N
MW268.56 g/mol
LogP3.15
Rot. Bonds2

About (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171221659) has the molecular formula C9H12BrClFN and a molecular weight of 268.56 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171221659
Molecular FormulaC9H12BrClFN
Molecular Weight268.56 g/mol
Exact Mass266.98
IUPAC Name(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
SMILESCc1ccc([C@@H](N)CF)c(Br)c1.Cl
InChIInChI=1S/C9H11BrFN.ClH/c1-6-2-3-7(8(10)4-6)9(12)5-11;/h2-4,9H,5,12H2,1H3;1H/t9-;/m0./s1
InChIKeyJCKCJPSMYWTIQL-FVGYRXGTSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171202134
(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
CID 171202123
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(1R)-1-(2-bromo-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202119
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
1-(2-bromo-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 105004288
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
CID 130626598
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161
1-(2-bromo-4-methylphenyl)pent-4-yn-1-amine
CID 115859575

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride (CID 171221659) is (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride is Cc1ccc([C@@H](N)CF)c(Br)c1.Cl.
What is the InChIKey of (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is JCKCJPSMYWTIQL-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H11BrFN.ClH/c1-6-2-3-7(8(10)4-6)9(12)5-11;/h2-4,9H,5,12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 268.56 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171221659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).