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

C10H15BrClN — CID 171203844

IUPAC(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C10H14BrN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeyINVQVJLCLWACOW-HNCPQSOCSA-N
MW264.59 g/mol
LogP3.59
Rot. Bonds2

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

(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171203844) has the molecular formula C10H15BrClN and a molecular weight of 264.59 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171203844
Molecular FormulaC10H15BrClN
Molecular Weight264.59 g/mol
Exact Mass263.01
IUPAC Name(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C10H14BrN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeyINVQVJLCLWACOW-HNCPQSOCSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
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CID 171203851
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
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(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
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1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
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
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
1-(5-bromo-2-methylphenyl)ethanamine
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CID 115800850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride (CID 171203844) is (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cc(Br)ccc1C.Cl.
What is the InChIKey of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is INVQVJLCLWACOW-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14BrN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride?
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 264.59 g/mol, XLogP of 3.59, 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;hydrochloride is sourced from PubChem (CID 171203844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).