1-(4-bromophenyl)-1-iminopropan-2-ol

C9H10BrNO — CID 89203678

IUPAC1-(4-bromophenyl)-1-iminopropan-2-ol
SMILES[H]/N=C(/c1ccc(Br)cc1)C(C)O
InChIInChI=1S/C9H10BrNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,11-12H,1H3/b11-9+
InChIKeyCKRPARPDKHBPLR-PKNBQFBNSA-N
MW228.09 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-bromophenyl)-1-iminopropan-2-ol

1-(4-bromophenyl)-1-iminopropan-2-ol (PubChem CID 89203678) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-iminopropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-iminopropan-2-ol
PubChem CID89203678
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-(4-bromophenyl)-1-iminopropan-2-ol
SMILES[H]/N=C(/c1ccc(Br)cc1)C(C)O
InChIInChI=1S/C9H10BrNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,11-12H,1H3/b11-9+
InChIKeyCKRPARPDKHBPLR-PKNBQFBNSA-N
XLogP2.20
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-iminopropan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-1-iminopropan-2-ol (CID 89203678) is 1-(4-bromophenyl)-1-iminopropan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-1-iminopropan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-1-iminopropan-2-ol is [H]/N=C(/c1ccc(Br)cc1)C(C)O.
What is the InChIKey of 1-(4-bromophenyl)-1-iminopropan-2-ol?
The InChIKey is CKRPARPDKHBPLR-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,11-12H,1H3/b11-9+.
What are the key properties of 1-(4-bromophenyl)-1-iminopropan-2-ol?
1-(4-bromophenyl)-1-iminopropan-2-ol has a molecular weight of 228.09 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-iminopropan-2-ol is sourced from PubChem (CID 89203678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).