2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol

C12H18BrNO — CID 117433028

IUPAC2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C(C)CN)cc1Br
InChIInChI=1S/C12H18BrNO/c1-7(2)9-5-12(15)10(4-11(9)13)8(3)6-14/h4-5,7-8,15H,6,14H2,1-3H3
InChIKeyBNUPWINFHMBKKG-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.34
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol

2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol (PubChem CID 117433028) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
PubChem CID117433028
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C(C)CN)cc1Br
InChIInChI=1S/C12H18BrNO/c1-7(2)9-5-12(15)10(4-11(9)13)8(3)6-14/h4-5,7-8,15H,6,14H2,1-3H3
InChIKeyBNUPWINFHMBKKG-UHFFFAOYSA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 117465267
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
5-(1-aminopropan-2-yl)-2,4-dihydroxybenzoic acid
CID 117301113
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol (CID 117433028) is 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol is CC(C)c1cc(O)c(C(C)CN)cc1Br.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol?
The InChIKey is BNUPWINFHMBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-7(2)9-5-12(15)10(4-11(9)13)8(3)6-14/h4-5,7-8,15H,6,14H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol?
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol has a molecular weight of 272.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol is sourced from PubChem (CID 117433028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).