1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol

C11H15ClN2O2 — CID 168637448

IUPAC1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol
SMILESCON=Cc1ccccc1NCC(O)CCl
InChIInChI=1S/C11H15ClN2O2/c1-16-14-7-9-4-2-3-5-11(9)13-8-10(15)6-12/h2-5,7,10,13,15H,6,8H2,1H3
InChIKeyQZVGMOXWMGTYAT-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.68
Rot. Bonds6

About 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol

1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol (PubChem CID 168637448) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol
PubChem CID168637448
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol
SMILESCON=Cc1ccccc1NCC(O)CCl
InChIInChI=1S/C11H15ClN2O2/c1-16-14-7-9-4-2-3-5-11(9)13-8-10(15)6-12/h2-5,7,10,13,15H,6,8H2,1H3
InChIKeyQZVGMOXWMGTYAT-UHFFFAOYSA-N
XLogP1.68
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol
CID 168597437
1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol
CID 168636319
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
methyl 3-[(3-chloro-2-hydroxypropyl)amino]-2-phenylbenzoate
CID 168639894
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
CID 168639689
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-anilino-3-chloropropan-2-ol
CID 3640254
1-[2-(N-anilino-C-methylcarbonimidoyl)anilino]-3-chloropropan-2-ol
CID 168640514
2-methylpropyl 2-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168636561

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol (CID 168637448) is 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol is CON=Cc1ccccc1NCC(O)CCl.
What is the InChIKey of 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol?
The InChIKey is QZVGMOXWMGTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-14-7-9-4-2-3-5-11(9)13-8-10(15)6-12/h2-5,7,10,13,15H,6,8H2,1H3.
What are the key properties of 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol?
1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol has a molecular weight of 242.71 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol is sourced from PubChem (CID 168637448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).