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

C10H11Cl2NO — CID 67302458

IUPAC(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESCC(O)[C@H](Cl)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7(14)10(12)13-6-8-2-4-9(11)5-3-8/h2-7,10,14H,1H3/t7?,10-/m1/s1
InChIKeySFWWMALDIPCQNI-OMNKOJBGSA-N
MW232.11 g/mol
LogP2.70
Rot. Bonds3

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

(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol (PubChem CID 67302458) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
PubChem CID67302458
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
SMILESCC(O)[C@H](Cl)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7(14)10(12)13-6-8-2-4-9(11)5-3-8/h2-7,10,14H,1H3/t7?,10-/m1/s1
InChIKeySFWWMALDIPCQNI-OMNKOJBGSA-N
XLogP2.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.70
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol (CID 67302458) is (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol is CC(O)[C@H](Cl)N=Cc1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
The InChIKey is SFWWMALDIPCQNI-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(14)10(12)13-6-8-2-4-9(11)5-3-8/h2-7,10,14H,1H3/t7?,10-/m1/s1.
What are the key properties of (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol?
(1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol has a molecular weight of 232.11 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 67302458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).