4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol

C10H14BrNO — CID 84802512

IUPAC4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
SMILESCc1cc(C(C)N)c(C)c(Br)c1O
InChIInChI=1S/C10H14BrNO/c1-5-4-8(7(3)12)6(2)9(11)10(5)13/h4,7,13H,12H2,1-3H3
InChIKeyULDLYVJPIXVCFX-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.79
Rot. Bonds1

About 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol

4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol (PubChem CID 84802512) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
PubChem CID84802512
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
SMILESCc1cc(C(C)N)c(C)c(Br)c1O
InChIInChI=1S/C10H14BrNO/c1-5-4-8(7(3)12)6(2)9(11)10(5)13/h4,7,13H,12H2,1-3H3
InChIKeyULDLYVJPIXVCFX-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-4-bromo-6-methylphenol
CID 130722387
2-[(1S)-1-aminoethyl]-4-bromo-6-methylphenol;hydrochloride
CID 171253771
2-bromo-6-[(1R)-1,2-diaminoethyl]-3,4-dimethylphenol
CID 130611702
1-(3-bromo-2,4-dimethylphenyl)ethanamine
CID 84792064
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
3-bromo-2-chloro-5-methylbenzene-1,4-diol
CID 59638989
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol?
The IUPAC name of 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol (CID 84802512) is 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol.
What is the SMILES notation for 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol?
The canonical SMILES for 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol is Cc1cc(C(C)N)c(C)c(Br)c1O.
What is the InChIKey of 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol?
The InChIKey is ULDLYVJPIXVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-5-4-8(7(3)12)6(2)9(11)10(5)13/h4,7,13H,12H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol?
4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol is sourced from PubChem (CID 84802512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).