(1R)-1-bromo-2-phenylethanamine

C8H10BrN — CID 164702405

IUPAC(1R)-1-bromo-2-phenylethanamine
SMILESN[C@H](Br)Cc1ccccc1
InChIInChI=1S/C8H10BrN/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2/t8-/m0/s1
InChIKeyDCKZSOZCYXVBFX-QMMMGPOBSA-N
MW200.08 g/mol
LogP1.91
Rot. Bonds2

About (1R)-1-bromo-2-phenylethanamine

(1R)-1-bromo-2-phenylethanamine (PubChem CID 164702405) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is (1R)-1-bromo-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-bromo-2-phenylethanamine
PubChem CID164702405
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name(1R)-1-bromo-2-phenylethanamine
SMILESN[C@H](Br)Cc1ccccc1
InChIInChI=1S/C8H10BrN/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2/t8-/m0/s1
InChIKeyDCKZSOZCYXVBFX-QMMMGPOBSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
λ2-plumbane;1-phenylpropan-2-amine
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azane;1-phenylpropan-2-amine
CID 67350534
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
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2-bromo-3-phenylpropanethioamide
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potassium;1-phenylpropan-2-amine;iodide
CID 70390373
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of (1R)-1-bromo-2-phenylethanamine?
The IUPAC name of (1R)-1-bromo-2-phenylethanamine (CID 164702405) is (1R)-1-bromo-2-phenylethanamine.
What is the SMILES notation for (1R)-1-bromo-2-phenylethanamine?
The canonical SMILES for (1R)-1-bromo-2-phenylethanamine is N[C@H](Br)Cc1ccccc1.
What is the InChIKey of (1R)-1-bromo-2-phenylethanamine?
The InChIKey is DCKZSOZCYXVBFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10BrN/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2/t8-/m0/s1.
What are the key properties of (1R)-1-bromo-2-phenylethanamine?
(1R)-1-bromo-2-phenylethanamine has a molecular weight of 200.08 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-bromo-2-phenylethanamine is sourced from PubChem (CID 164702405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).