(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine

C13H17BrF3N — CID 157332352

IUPAC(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine
SMILESCC(C)(C[C@@](C)(N)c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C13H17BrF3N/c1-11(2,13(15,16)17)8-12(3,18)9-4-6-10(14)7-5-9/h4-7H,8,18H2,1-3H3/t12-/m1/s1
InChIKeyMURDAQSMDXUYHR-GFCCVEGCSA-N
MW324.18 g/mol
LogP4.60
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine

(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine (PubChem CID 157332352) has the molecular formula C13H17BrF3N and a molecular weight of 324.18 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine
PubChem CID157332352
Molecular FormulaC13H17BrF3N
Molecular Weight324.18 g/mol
Exact Mass323.05
IUPAC Name(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine
SMILESCC(C)(C[C@@](C)(N)c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C13H17BrF3N/c1-11(2,13(15,16)17)8-12(3,18)9-4-6-10(14)7-5-9/h4-7H,8,18H2,1-3H3/t12-/m1/s1
InChIKeyMURDAQSMDXUYHR-GFCCVEGCSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-amine
CID 70200388
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
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CID 62622195
1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
CID 86730298
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine?
The IUPAC name of (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine (CID 157332352) is (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine is CC(C)(C[C@@](C)(N)c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine?
The InChIKey is MURDAQSMDXUYHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17BrF3N/c1-11(2,13(15,16)17)8-12(3,18)9-4-6-10(14)7-5-9/h4-7H,8,18H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine?
(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine has a molecular weight of 324.18 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 157332352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).