(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol

C15H24N2O3 — CID 10516884

IUPAC(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol
SMILESCOc1ccccc1CO/N=C/C(O)CNC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)16-9-13(18)10-17-20-11-12-7-5-6-8-14(12)19-4/h5-8,10,13,16,18H,9,11H2,1-4H3/b17-10+
InChIKeyOHXKNXZZRDICCC-LICLKQGHSA-N
MW280.37 g/mol
LogP1.95
Rot. Bonds7

About (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol

(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol (PubChem CID 10516884) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol.

Molecular Properties

Compound Name(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol
PubChem CID10516884
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol
SMILESCOc1ccccc1CO/N=C/C(O)CNC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)16-9-13(18)10-17-20-11-12-7-5-6-8-14(12)19-4/h5-8,10,13,16,18H,9,11H2,1-4H3/b17-10+
InChIKeyOHXKNXZZRDICCC-LICLKQGHSA-N
XLogP1.95
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol?
The IUPAC name of (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol (CID 10516884) is (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol.
What is the SMILES notation for (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol?
The canonical SMILES for (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol is COc1ccccc1CO/N=C/C(O)CNC(C)(C)C.
What is the InChIKey of (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol?
The InChIKey is OHXKNXZZRDICCC-LICLKQGHSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)16-9-13(18)10-17-20-11-12-7-5-6-8-14(12)19-4/h5-8,10,13,16,18H,9,11H2,1-4H3/b17-10+.
What are the key properties of (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol?
(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol is sourced from PubChem (CID 10516884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).