(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride

C9H11BrClF2N — CID 171240370

IUPAC(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCc1ccc([C@@H](N)C(F)F)c(Br)c1.Cl
InChIInChI=1S/C9H10BrF2N.ClH/c1-5-2-3-6(7(10)4-5)8(13)9(11)12;/h2-4,8-9H,13H2,1H3;1H/t8-;/m1./s1
InChIKeyDOYBBBQIBJBIJY-DDWIOCJRSA-N
MW286.55 g/mol
LogP3.44
Rot. Bonds2

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

(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 171240370) has the molecular formula C9H11BrClF2N and a molecular weight of 286.55 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID171240370
Molecular FormulaC9H11BrClF2N
Molecular Weight286.55 g/mol
Exact Mass284.97
IUPAC Name(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCc1ccc([C@@H](N)C(F)F)c(Br)c1.Cl
InChIInChI=1S/C9H10BrF2N.ClH/c1-5-2-3-6(7(10)4-5)8(13)9(11)12;/h2-4,8-9H,13H2,1H3;1H/t8-;/m1./s1
InChIKeyDOYBBBQIBJBIJY-DDWIOCJRSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
CID 130626598
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171261701
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
(1S,2R)-1-amino-1-(2-bromo-4-methylphenyl)-3-methylbutan-2-ol
CID 131392240
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171261698
(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
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695
(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
CID 171202123
(2S)-2-amino-2-(2-bromo-4-methylphenyl)acetonitrile
CID 130055180

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride (CID 171240370) is (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride is Cc1ccc([C@@H](N)C(F)F)c(Br)c1.Cl.
What is the InChIKey of (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is DOYBBBQIBJBIJY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10BrF2N.ClH/c1-5-2-3-6(7(10)4-5)8(13)9(11)12;/h2-4,8-9H,13H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride?
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 286.55 g/mol, XLogP of 3.44, 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)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 171240370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).