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

C11H16BrNO — CID 117398513

IUPAC3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(CCCN)c(C)c1O
InChIInChI=1S/C11H16BrNO/c1-7-6-10(12)9(4-3-5-13)8(2)11(7)14/h6,14H,3-5,13H2,1-2H3
InChIKeyIVINBPXPVKCDHF-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.66
Rot. Bonds3

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

3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol (PubChem CID 117398513) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
PubChem CID117398513
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(CCCN)c(C)c1O
InChIInChI=1S/C11H16BrNO/c1-7-6-10(12)9(4-3-5-13)8(2)11(7)14/h6,14H,3-5,13H2,1-2H3
InChIKeyIVINBPXPVKCDHF-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

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Related Compounds

2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
CID 117432655
3-(4-aminobutyl)-4-bromo-6-fluorobenzene-1,2-diol
CID 117445578
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol?
The IUPAC name of 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol (CID 117398513) is 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol.
What is the SMILES notation for 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol?
The canonical SMILES for 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol is Cc1cc(Br)c(CCCN)c(C)c1O.
What is the InChIKey of 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol?
The InChIKey is IVINBPXPVKCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-6-10(12)9(4-3-5-13)8(2)11(7)14/h6,14H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol?
3-(3-aminopropyl)-4-bromo-2,6-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 3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol is sourced from PubChem (CID 117398513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).