2-(3-bromo-4-ethenylphenyl)ethanamine

C10H12BrN — CID 130050945

IUPAC2-(3-bromo-4-ethenylphenyl)ethanamine
SMILESC=Cc1ccc(CCN)cc1Br
InChIInChI=1S/C10H12BrN/c1-2-9-4-3-8(5-6-12)7-10(9)11/h2-4,7H,1,5-6,12H2
InChIKeyCISSJXPKEGZCDG-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-bromo-4-ethenylphenyl)ethanamine

2-(3-bromo-4-ethenylphenyl)ethanamine (PubChem CID 130050945) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(3-bromo-4-ethenylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-ethenylphenyl)ethanamine
PubChem CID130050945
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name2-(3-bromo-4-ethenylphenyl)ethanamine
SMILESC=Cc1ccc(CCN)cc1Br
InChIInChI=1S/C10H12BrN/c1-2-9-4-3-8(5-6-12)7-10(9)11/h2-4,7H,1,5-6,12H2
InChIKeyCISSJXPKEGZCDG-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-ethenylphenyl)ethanamine
CID 130050942
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
2-(3-bromo-4-ethylsulfanylphenyl)ethanamine
CID 105424591
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
methyl 4-(2-aminoethyl)-2-bromobenzoate
CID 171616420
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethenylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-ethenylphenyl)ethanamine (CID 130050945) is 2-(3-bromo-4-ethenylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-ethenylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-ethenylphenyl)ethanamine is C=Cc1ccc(CCN)cc1Br.
What is the InChIKey of 2-(3-bromo-4-ethenylphenyl)ethanamine?
The InChIKey is CISSJXPKEGZCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-2-9-4-3-8(5-6-12)7-10(9)11/h2-4,7H,1,5-6,12H2.
What are the key properties of 2-(3-bromo-4-ethenylphenyl)ethanamine?
2-(3-bromo-4-ethenylphenyl)ethanamine has a molecular weight of 226.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethenylphenyl)ethanamine is sourced from PubChem (CID 130050945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).