(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride

C9H12BrCl2N — CID 171203975

IUPAC(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C9H11BrClN.ClH/c1-2-9(12)7-5-6(10)3-4-8(7)11;/h3-5,9H,2,12H2,1H3;1H/t9-;/m1./s1
InChIKeyIAPVOVXWFSOEFX-SBSPUUFOSA-N
MW285.01 g/mol
LogP3.93
Rot. Bonds2

About (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride

(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride (PubChem CID 171203975) has the molecular formula C9H12BrCl2N and a molecular weight of 285.01 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
PubChem CID171203975
Molecular FormulaC9H12BrCl2N
Molecular Weight285.01 g/mol
Exact Mass282.95
IUPAC Name(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C9H11BrClN.ClH/c1-2-9(12)7-5-6(10)3-4-8(7)11;/h3-5,9H,2,12H2,1H3;1H/t9-;/m1./s1
InChIKeyIAPVOVXWFSOEFX-SBSPUUFOSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.01
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
ethyl (3R)-3-amino-3-(5-bromo-2-chlorophenyl)propanoate;hydrochloride
CID 171204005
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride (CID 171203975) is (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cc(Br)ccc1Cl.Cl.
What is the InChIKey of (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride?
The InChIKey is IAPVOVXWFSOEFX-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H11BrClN.ClH/c1-2-9(12)7-5-6(10)3-4-8(7)11;/h3-5,9H,2,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride?
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride has a molecular weight of 285.01 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171203975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).