1-(5-bromo-2-methylphenyl)ethanamine

C9H12BrN — CID 82647898

IUPAC1-(5-bromo-2-methylphenyl)ethanamine
SMILESCc1ccc(Br)cc1C(C)N
InChIInChI=1S/C9H12BrN/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5,7H,11H2,1-2H3
InChIKeyWQPGMVARNYPTKS-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.78
Rot. Bonds1

About 1-(5-bromo-2-methylphenyl)ethanamine

1-(5-bromo-2-methylphenyl)ethanamine (PubChem CID 82647898) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)ethanamine
PubChem CID82647898
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name1-(5-bromo-2-methylphenyl)ethanamine
SMILESCc1ccc(Br)cc1C(C)N
InChIInChI=1S/C9H12BrN/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5,7H,11H2,1-2H3
InChIKeyWQPGMVARNYPTKS-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.78
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
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
(1S)-1-(5-bromo-2-iodophenyl)ethanamine
CID 130737837
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde
CID 116939092
2-[amino-(5-bromo-2-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946388
1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine
CID 116914675
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
2-(5-bromo-2-methylphenyl)-3-methylbutanenitrile
CID 116964665
4-amino-4-(5-bromo-2-methylphenyl)butan-2-one
CID 116940603
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)ethanamine (CID 82647898) is 1-(5-bromo-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)ethanamine is Cc1ccc(Br)cc1C(C)N.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)ethanamine?
The InChIKey is WQPGMVARNYPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5,7H,11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)ethanamine?
1-(5-bromo-2-methylphenyl)ethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)ethanamine is sourced from PubChem (CID 82647898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).