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

C11H16BrNO — CID 83901624

IUPAC6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
SMILESCc1c(Br)cc(CCCN)c(O)c1C
InChIInChI=1S/C11H16BrNO/c1-7-8(2)11(14)9(4-3-5-13)6-10(7)12/h6,14H,3-5,13H2,1-2H3
InChIKeyMCQCLBGACDRJRM-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.66
Rot. Bonds3

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

6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol (PubChem CID 83901624) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
PubChem CID83901624
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
SMILESCc1c(Br)cc(CCCN)c(O)c1C
InChIInChI=1S/C11H16BrNO/c1-7-8(2)11(14)9(4-3-5-13)6-10(7)12/h6,14H,3-5,13H2,1-2H3
InChIKeyMCQCLBGACDRJRM-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
2-(3-aminopropyl)-6-bromo-4-nitrophenol
CID 170867456

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol?
The IUPAC name of 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol (CID 83901624) is 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol.
What is the SMILES notation for 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol?
The canonical SMILES for 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol is Cc1c(Br)cc(CCCN)c(O)c1C.
What is the InChIKey of 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol?
The InChIKey is MCQCLBGACDRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-8(2)11(14)9(4-3-5-13)6-10(7)12/h6,14H,3-5,13H2,1-2H3.
What are the key properties of 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol?
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol has a molecular weight of 258.16 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol is sourced from PubChem (CID 83901624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).