(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol

C10H11BrClNO — CID 141375245

IUPAC(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESO[C@H](CBr)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11BrClNO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+/t10-/m1/s1
InChIKeyAMUPTDDVXJFFEJ-KUKWCLJQSA-N
MW276.56 g/mol
LogP2.51
Rot. Bonds4

About (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol

(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol (PubChem CID 141375245) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
PubChem CID141375245
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESO[C@H](CBr)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11BrClNO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+/t10-/m1/s1
InChIKeyAMUPTDDVXJFFEJ-KUKWCLJQSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-Dichlorobenzylidene)ethanolamine
CID 96999
2-[(4-Chlorobenzylidene)amino]-2-methyl-1-propanol
CID 261936
3-[(2,4-Dichlorophenyl)methylideneamino]propan-1-ol
CID 2185359
(S)-(E,Z)-N-4-Chlorobenzylidene-1-(oxiran-2-yl)methanamine
CID 54589016
2-[(4-Chlorophenyl)methylideneamino]ethanol
CID 4617439
N-(3-bromopropyl)-1-(4-chlorophenyl)methanimine
CID 17755727
2-{[(E)-(2,4-dichlorophenyl)methylidene]amino}ethanol
CID 1809629
2-[(4-Chlorobenzylidene)amino]-1-butanol
CID 2847005
1,3-Bis[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 5325972
(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol
CID 24758907
(S)-1-chloro-3-((4-chlorobenzylidene)amino)propan-2-ol
CID 24758908
(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 67302458

Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol (CID 141375245) is (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol is O[C@H](CBr)C/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The InChIKey is AMUPTDDVXJFFEJ-KUKWCLJQSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-5-10(14)7-13-6-8-1-3-9(12)4-2-8/h1-4,6,10,14H,5,7H2/b13-6+/t10-/m1/s1.
What are the key properties of (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol?
(2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol has a molecular weight of 276.56 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-3-[(4-chlorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 141375245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).