4-amino-2-bromo-3-methyl-6-propan-2-ylphenol

C10H14BrNO — CID 51983650

IUPAC4-amino-2-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(N)cc(C(C)C)c(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-5(2)7-4-8(12)6(3)9(11)10(7)13/h4-5,13H,12H2,1-3H3
InChIKeyMWICDQHSRTWRDP-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.17
Rot. Bonds1

About 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol

4-amino-2-bromo-3-methyl-6-propan-2-ylphenol (PubChem CID 51983650) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-amino-2-bromo-3-methyl-6-propan-2-ylphenol
PubChem CID51983650
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-amino-2-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(N)cc(C(C)C)c(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-5(2)7-4-8(12)6(3)9(11)10(7)13/h4-5,13H,12H2,1-3H3
InChIKeyMWICDQHSRTWRDP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol (CID 51983650) is 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol is Cc1c(N)cc(C(C)C)c(O)c1Br.
What is the InChIKey of 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol?
The InChIKey is MWICDQHSRTWRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-5(2)7-4-8(12)6(3)9(11)10(7)13/h4-5,13H,12H2,1-3H3.
What are the key properties of 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol?
4-amino-2-bromo-3-methyl-6-propan-2-ylphenol has a molecular weight of 244.13 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 51983650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).