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

C10H12BrNO — CID 149235955

IUPAC4-(2-bromophenyl)-1-iminobutan-2-ol
SMILES[H]/N=C/C(O)CCc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,7,9,12-13H,5-6H2/b12-7+
InChIKeyXLFOEUXVVOFNKX-KPKJPENVSA-N
MW242.12 g/mol
LogP2.39
Rot. Bonds4

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

4-(2-bromophenyl)-1-iminobutan-2-ol (PubChem CID 149235955) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-iminobutan-2-ol.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-iminobutan-2-ol
PubChem CID149235955
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-(2-bromophenyl)-1-iminobutan-2-ol
SMILES[H]/N=C/C(O)CCc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,7,9,12-13H,5-6H2/b12-7+
InChIKeyXLFOEUXVVOFNKX-KPKJPENVSA-N
XLogP2.39
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Bromophenyl)-1,1,1-trifluoro-2-methanimidoyl-4-methylpentan-2-ol
CID 141115774
(2S)-1-imino-4-phenylbutan-2-ol
CID 58682499
1-Imino-3-phenylpropan-2-ol
CID 88638340
1-(4-Bromophenyl)-1-iminopropan-2-ol
CID 89203678
1-Amino-3-(2-bromophenyl)propan-1-ol
CID 164517749
[(2R)-2-hydroxy-4-phenylbutylidene]azanium chloride
CID 11333113
(2R)-1-imino-4-phenylbutan-2-ol
CID 11333114
1-Imino-4-phenylbutan-2-ol
CID 21043164
1-Amino-3-(2-bromophenyl)propan-2-ol
CID 65986815
Methyl 3-(2-bromophenyl)propanimidate
CID 82293284
1-Amino-4-(2-bromophenyl)butan-2-ol
CID 82386014
4-Amino-1-(2-bromophenyl)butan-2-ol
CID 82386022

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-iminobutan-2-ol?
The IUPAC name of 4-(2-bromophenyl)-1-iminobutan-2-ol (CID 149235955) is 4-(2-bromophenyl)-1-iminobutan-2-ol.
What is the SMILES notation for 4-(2-bromophenyl)-1-iminobutan-2-ol?
The canonical SMILES for 4-(2-bromophenyl)-1-iminobutan-2-ol is [H]/N=C/C(O)CCc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-1-iminobutan-2-ol?
The InChIKey is XLFOEUXVVOFNKX-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,7,9,12-13H,5-6H2/b12-7+.
What are the key properties of 4-(2-bromophenyl)-1-iminobutan-2-ol?
4-(2-bromophenyl)-1-iminobutan-2-ol has a molecular weight of 242.12 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-iminobutan-2-ol is sourced from PubChem (CID 149235955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).