3-(4-bromo-2,5-dimethylphenyl)propan-1-amine

C11H16BrN — CID 84801554

IUPAC3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(CCCN)c(C)cc1Br
InChIInChI=1S/C11H16BrN/c1-8-7-11(12)9(2)6-10(8)4-3-5-13/h6-7H,3-5,13H2,1-2H3
InChIKeyIJMVXSFXRJURSH-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.96
Rot. Bonds3

About 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine

3-(4-bromo-2,5-dimethylphenyl)propan-1-amine (PubChem CID 84801554) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
PubChem CID84801554
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(CCCN)c(C)cc1Br
InChIInChI=1S/C11H16BrN/c1-8-7-11(12)9(2)6-10(8)4-3-5-13/h6-7H,3-5,13H2,1-2H3
InChIKeyIJMVXSFXRJURSH-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
2-[2-(4-bromo-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305826
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
CID 65306316
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine (CID 84801554) is 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine is Cc1cc(CCCN)c(C)cc1Br.
What is the InChIKey of 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine?
The InChIKey is IJMVXSFXRJURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-8-7-11(12)9(2)6-10(8)4-3-5-13/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine?
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 84801554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).