(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine

C10H14BrN — CID 96840213

IUPAC(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Br)ccc1C
InChIInChI=1S/C10H14BrN/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyZZVMELBLOGKMAD-SNVBAGLBSA-N
MW228.13 g/mol
LogP3.17
Rot. Bonds2

About (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine

(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine (PubChem CID 96840213) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
PubChem CID96840213
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Br)ccc1C
InChIInChI=1S/C10H14BrN/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyZZVMELBLOGKMAD-SNVBAGLBSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
4-amino-4-(5-bromo-2-methylphenyl)butan-2-one
CID 116940603
3-(1-aminopropyl)-4-methylaniline
CID 130000361
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine (CID 96840213) is (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine is CC[C@@H](N)c1cc(Br)ccc1C.
What is the InChIKey of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine?
The InChIKey is ZZVMELBLOGKMAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14BrN/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine?
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine has a molecular weight of 228.13 g/mol, XLogP of 3.17, 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-methylphenyl)propan-1-amine is sourced from PubChem (CID 96840213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).