2-(2-amino-5-bromophenyl)propan-2-ol

C9H12BrNO — CID 12042275

IUPAC2-(2-amino-5-bromophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Br)ccc1N
InChIInChI=1S/C9H12BrNO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,11H2,1-2H3
InChIKeyLTXRKVHNRDEBRT-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.26
Rot. Bonds1

About 2-(2-amino-5-bromophenyl)propan-2-ol

2-(2-amino-5-bromophenyl)propan-2-ol (PubChem CID 12042275) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)propan-2-ol
PubChem CID12042275
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-(2-amino-5-bromophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Br)ccc1N
InChIInChI=1S/C9H12BrNO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,11H2,1-2H3
InChIKeyLTXRKVHNRDEBRT-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)propan-2-ol?
The IUPAC name of 2-(2-amino-5-bromophenyl)propan-2-ol (CID 12042275) is 2-(2-amino-5-bromophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)propan-2-ol?
The canonical SMILES for 2-(2-amino-5-bromophenyl)propan-2-ol is CC(C)(O)c1cc(Br)ccc1N.
What is the InChIKey of 2-(2-amino-5-bromophenyl)propan-2-ol?
The InChIKey is LTXRKVHNRDEBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,11H2,1-2H3.
What are the key properties of 2-(2-amino-5-bromophenyl)propan-2-ol?
2-(2-amino-5-bromophenyl)propan-2-ol has a molecular weight of 230.10 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)propan-2-ol is sourced from PubChem (CID 12042275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).