4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol

C10H14BrNO — CID 84802471

IUPAC4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
SMILESCc1c(C(C)CN)ccc(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-6(5-12)8-3-4-9(13)10(11)7(8)2/h3-4,6,13H,5,12H2,1-2H3
InChIKeyLQMXOEKWSWLLCC-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.53
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol

4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol (PubChem CID 84802471) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
PubChem CID84802471
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
SMILESCc1c(C(C)CN)ccc(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-6(5-12)8-3-4-9(13)10(11)7(8)2/h3-4,6,13H,5,12H2,1-2H3
InChIKeyLQMXOEKWSWLLCC-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
2-(1-aminopropan-2-yl)phenol
CID 3028046
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802474
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117432680
2-(4-bromo-1,3-benzodioxol-5-yl)propan-1-amine
CID 117398356
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol (CID 84802471) is 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol is Cc1c(C(C)CN)ccc(O)c1Br.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
The InChIKey is LQMXOEKWSWLLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6(5-12)8-3-4-9(13)10(11)7(8)2/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84802471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).