(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol

C14H21ClN2O2 — CID 10401649

IUPAC(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)/C=N/OCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)16-8-13(18)9-17-19-10-11-4-6-12(15)7-5-11/h4-7,9,13,16,18H,8,10H2,1-3H3/b17-9+/t13-/m1/s1
InChIKeyOAPPBWDTBGYHGS-LFMVTYOGSA-N
MW284.79 g/mol
LogP2.59
Rot. Bonds6

About (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol

(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol (PubChem CID 10401649) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol.

Molecular Properties

Compound Name(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol
PubChem CID10401649
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)/C=N/OCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)16-8-13(18)9-17-19-10-11-4-6-12(15)7-5-11/h4-7,9,13,16,18H,8,10H2,1-3H3/b17-9+/t13-/m1/s1
InChIKeyOAPPBWDTBGYHGS-LFMVTYOGSA-N
XLogP2.59
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol?
The IUPAC name of (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol (CID 10401649) is (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol.
What is the SMILES notation for (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol?
The canonical SMILES for (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol is CC(C)(C)NC[C@@H](O)/C=N/OCc1ccc(Cl)cc1.
What is the InChIKey of (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol?
The InChIKey is OAPPBWDTBGYHGS-LFMVTYOGSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)16-8-13(18)9-17-19-10-11-4-6-12(15)7-5-11/h4-7,9,13,16,18H,8,10H2,1-3H3/b17-9+/t13-/m1/s1.
What are the key properties of (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol?
(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol has a molecular weight of 284.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol is sourced from PubChem (CID 10401649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).