2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol

C11H16BrNO — CID 117398502

IUPAC2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(CC(C)N)c1O
InChIInChI=1S/C11H16BrNO/c1-6-4-10(12)8(3)9(11(6)14)5-7(2)13/h4,7,14H,5,13H2,1-3H3
InChIKeyWWQXCACJPSVOMJ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol

2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol (PubChem CID 117398502) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
PubChem CID117398502
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
SMILESCc1cc(Br)c(C)c(CC(C)N)c1O
InChIInChI=1S/C11H16BrNO/c1-6-4-10(12)8(3)9(11(6)14)5-7(2)13/h4,7,14H,5,13H2,1-3H3
InChIKeyWWQXCACJPSVOMJ-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
CID 84800308
4-(2-aminopropyl)-2,3,5-trimethylphenol
CID 117111308
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
3-(2-aminopropyl)-4-bromobenzene-1,2-diol
CID 117366974
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol?
The IUPAC name of 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol (CID 117398502) is 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol?
The canonical SMILES for 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol is Cc1cc(Br)c(C)c(CC(C)N)c1O.
What is the InChIKey of 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol?
The InChIKey is WWQXCACJPSVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-6-4-10(12)8(3)9(11(6)14)5-7(2)13/h4,7,14H,5,13H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol?
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol has a molecular weight of 258.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol is sourced from PubChem (CID 117398502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).