1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol

C10H14BrNO — CID 82647794

IUPAC1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)cc1C(C)(O)CN
InChIInChI=1S/C10H14BrNO/c1-7-3-4-8(11)5-9(7)10(2,13)6-12/h3-5,13H,6,12H2,1-2H3
InChIKeyPPSBWCRUZNCPSA-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.92
Rot. Bonds2

About 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol

1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol (PubChem CID 82647794) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
PubChem CID82647794
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)cc1C(C)(O)CN
InChIInChI=1S/C10H14BrNO/c1-7-3-4-8(11)5-9(7)10(2,13)6-12/h3-5,13H,6,12H2,1-2H3
InChIKeyPPSBWCRUZNCPSA-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12042275
1-amino-2-(4-methyl-3-pyridinyl)propan-2-ol
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3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
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2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol (CID 82647794) is 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol is Cc1ccc(Br)cc1C(C)(O)CN.
What is the InChIKey of 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol?
The InChIKey is PPSBWCRUZNCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-3-4-8(11)5-9(7)10(2,13)6-12/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol?
1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 82647794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).