1-(3-bromo-4-methylphenyl)ethanamine

C9H12BrN — CID 70795886

IUPAC1-(3-bromo-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1Br
InChIInChI=1S/C9H12BrN/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5,7H,11H2,1-2H3
InChIKeyQZOVGJPADSENQV-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.78
Rot. Bonds1

About 1-(3-bromo-4-methylphenyl)ethanamine

1-(3-bromo-4-methylphenyl)ethanamine (PubChem CID 70795886) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)ethanamine
PubChem CID70795886
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name1-(3-bromo-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1Br
InChIInChI=1S/C9H12BrN/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5,7H,11H2,1-2H3
InChIKeyQZOVGJPADSENQV-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

1-(3-bromo-4-methylphenyl)propane-1,2-diamine
CID 131002270
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
CID 105013875
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)ethanamine (CID 70795886) is 1-(3-bromo-4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)ethanamine is Cc1ccc(C(C)N)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)ethanamine?
The InChIKey is QZOVGJPADSENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5,7H,11H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)ethanamine?
1-(3-bromo-4-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-(3-bromo-4-methylphenyl)ethanamine is sourced from PubChem (CID 70795886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).